Ioannou, Polydoros-Chrysovalantis’s team published research in Inorganica Chimica Acta in 522 | CAS: 613-33-2

Inorganica Chimica Acta published new progress about 613-33-2. 613-33-2 belongs to catalysis-chemistry, auxiliary class Benzene, name is 4,4′-Dimethyldiphenyl, and the molecular formula is C14H14, Quality Control of 613-33-2.

Ioannou, Polydoros-Chrysovalantis published the artcileStructural and catalytic properties of the [Ni(BIPHEP)X2] complexes, BIPHEP = 2,2-diphenylphosphino-1,1-biphenyl; X = Cl, Br, Quality Control of 613-33-2, the publication is Inorganica Chimica Acta (2021), 120300, database is CAplus.

The synthesis and catalytic properties in Kumada C-C coupling of the [Ni(BIPHEP)X2] complexes, X = Cl (1), Br (2), are described. The crystal structures of the BIPHEP ligand and 2 are also presented and compared with previously reported crystal structures of atropisomeric bidentate phosphine ligands (P,P) and related [M(P,P)X2] complexes (M = Ni, Pd, Pt). BIPHEP crystallizes in the C2/c space group, with both enantiomers present in the unit cell. This is consistent with BIPHEP being a “tropos” ligand. Complex 2 crystallizes in the P21/a space group. There are two symmetry-independent mols. in the asym. unit, namely 2a and 2b, in which the BIPHEP ligand adopts the S or the R configuration, resp. Complexes 2a and 2b exhibit a severely tetrahedrally-distorted square planar NiP2Br2 coordination sphere, with a PNiP bite angle of 93.3¡ã and 94.7¡ã, resp. The observed catalytic behavior of complexes 1 and 2 in the Kumada coupling between p-tert-butyl-halobenzene and p-tolylmagnesium chloride is benchmarked against that of [Ni(dppp)Cl2], dppp = 1,3-bis(diphenylphoshpino)propane. However, all three complexes are catalytically inactive in the Suzuki-Miyaura coupling reaction.

Inorganica Chimica Acta published new progress about 613-33-2. 613-33-2 belongs to catalysis-chemistry, auxiliary class Benzene, name is 4,4′-Dimethyldiphenyl, and the molecular formula is C14H14, Quality Control of 613-33-2.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Komarova, N. V.’s team published research in Izvestiya Vysshikh Uchebnykh Zavedenii, Khimiya i Khimicheskaya Tekhnologiya in 27 | CAS: 5411-14-3

Izvestiya Vysshikh Uchebnykh Zavedenii, Khimiya i Khimicheskaya Tekhnologiya published new progress about 5411-14-3. 5411-14-3 belongs to catalysis-chemistry, auxiliary class Carboxylic acid,Benzene,Ether, name is 2,2-(1,2-Phenylenebis(oxy))diacetic acid, and the molecular formula is C10H10O6, Name: 2,2-(1,2-Phenylenebis(oxy))diacetic acid.

Komarova, N. V. published the artcileKinetics of the polyesterification of phenylenedioxyacetic acids and glycerol, Name: 2,2-(1,2-Phenylenebis(oxy))diacetic acid, the publication is Izvestiya Vysshikh Uchebnykh Zavedenii, Khimiya i Khimicheskaya Tekhnologiya (1984), 27(2), 232-4, database is CAplus.

The polycondensation of phenylenebis(oxyacetic acids) (I) with glycerin??[56-81-5] in equimolar ratio at 140-190¡ã was a 3rd-order reaction described by an Arrhenian equation up to the gel point. The polycondensation rates for I were significantly higher than those for phthalic anhydride as the result of a neg. inductive effect by the oxyphenyl group in I. Of the I studied 1,3-phenylenebis(oxyacetic?acid) [102-39-6] was more reactive than 1,2-phenylenebis(oxyacetic?acid) [5411-14-3] or 5-methyl-1,3-phenylenebis(oxyacetic?acid) [87425-59-0].

Izvestiya Vysshikh Uchebnykh Zavedenii, Khimiya i Khimicheskaya Tekhnologiya published new progress about 5411-14-3. 5411-14-3 belongs to catalysis-chemistry, auxiliary class Carboxylic acid,Benzene,Ether, name is 2,2-(1,2-Phenylenebis(oxy))diacetic acid, and the molecular formula is C10H10O6, Name: 2,2-(1,2-Phenylenebis(oxy))diacetic acid.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Bennett-Lenane, Harriet’s team published research in European Journal of Pharmaceutical Sciences in 168 | CAS: 38260-01-4

European Journal of Pharmaceutical Sciences published new progress about 38260-01-4. 38260-01-4 belongs to catalysis-chemistry, auxiliary class Chelating Agents, name is N1,N1′-(Ethane-1,2-diyl)bis(ethane-1,2-diamine) dihydrochloride, and the molecular formula is C6H20Cl2N4, Application In Synthesis of 38260-01-4.

Bennett-Lenane, Harriet published the artcileMachine learning methods for prediction of food effects on bioavailability: A comparison of support vector machines and artificial neural networks, Application In Synthesis of 38260-01-4, the publication is European Journal of Pharmaceutical Sciences (2022), 106018, database is CAplus and MEDLINE.

Despite countless advances in recent decades across various in vitro, in vivo and in silico tools, anticipation of whether a drug will show a human food effect (FE) remains challenging. One means to predict potential FE involves probing any dependence between FE and drug properties. Accordingly, this study explored the potential for two machine learning (ML) algorithms to predict likely FE. Using a collated database of drugs licensed from 2016-2020, drugs were classified into three groups; pos., neg. or no FE. Greater than 250 drug properties were predicted for each drug which were used to train predictive models using Support Vector Machine (SVM) and Artificial Neural Network (ANN) algorithms. When compared, ANN outperformed SVM for FE classification upon training (82%, 72%) and testing (72%, 69%). Both models demonstrated higher FE prediction accuracy than the Biopharmaceutics Classification System (BCS) (46%). This exploratory work provided new insights into the connection between FE and drug properties as the Octanol Water Partition Coefficient (S+logP), Number of Hydrogen Bond Donors (HBD), Topol. Polar Surface Area (T_PSA) and Dose (mg) were all significant for prediction. Overall, this study demonstrated the utility of ML to facilitate early anticipation of likely FE in pre-clin. development using four well-known drug properties.

European Journal of Pharmaceutical Sciences published new progress about 38260-01-4. 38260-01-4 belongs to catalysis-chemistry, auxiliary class Chelating Agents, name is N1,N1′-(Ethane-1,2-diyl)bis(ethane-1,2-diamine) dihydrochloride, and the molecular formula is C6H20Cl2N4, Application In Synthesis of 38260-01-4.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Azzi, Nadia’s team published research in Chemical Communications (Cambridge, United Kingdom) in | CAS: 4141-48-4

Chemical Communications (Cambridge, United Kingdom) published new progress about 4141-48-4. 4141-48-4 belongs to catalysis-chemistry, auxiliary class Aryl phosphine ligand,Mono-phosphine Ligands, name is Allyldiphenylphosphine oxide, and the molecular formula is C15H15OP, Recommanded Product: Allyldiphenylphosphine oxide.

Azzi, Nadia published the artcileAn enantioselective desymmetrization approach to C9-substituted trans-hydrindene rings based on a diastereotopic group-selective intramolecular Diels-Alder reaction, Recommanded Product: Allyldiphenylphosphine oxide, the publication is Chemical Communications (Cambridge, United Kingdom) (2006), 4909-4911, database is CAplus and MEDLINE.

The synthesis of an achiral skipped bis(1,3-diene) substrate was achieved, which was shown to undergo an enantioselective, diastereotopic group-selective, intramol. Diels-Alder reaction to give the steroid CD-ring/side chain subunit I.

Chemical Communications (Cambridge, United Kingdom) published new progress about 4141-48-4. 4141-48-4 belongs to catalysis-chemistry, auxiliary class Aryl phosphine ligand,Mono-phosphine Ligands, name is Allyldiphenylphosphine oxide, and the molecular formula is C15H15OP, Recommanded Product: Allyldiphenylphosphine oxide.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Roy, Monika A.’s team published research in Aquatic Toxicology in 249 | CAS: 6217-54-5

Aquatic Toxicology published new progress about 6217-54-5. 6217-54-5 belongs to catalysis-chemistry, auxiliary class Alkenyl,Carboxylic acid,Aliphatic hydrocarbon chain,Metabolic Enzyme,RAR/RXR,Natural product, name is Docosahexaenoic Acid, and the molecular formula is C22H32O2, Application of Docosahexaenoic Acid.

Roy, Monika A. published the artcileNrf2a dependent and independent effects of early life exposure to 3,3¡ä-dichlorobiphenyl (PCB-11) in zebrafish (Danio rerio), Application of Docosahexaenoic Acid, the publication is Aquatic Toxicology (2022), 106219, database is CAplus and MEDLINE.

The environmental pollutant 3,3¡ä-dichlorobiphenyl (PCB-11) is a lower-chlorinated polychlorinated biphenyl (PCB) congener present in air and water samples. Both PCB-11 and its metabolite, 4-PCB-11-Sulfate, are detected in humans, including in pregnant women. Previous research in zebrafish (Danio rerio) has shown that 0.2 ¦ÌM exposures to 4-PCB-11-Sulfate starting at 1 day post fertilization (dpf) increase hepatic neutral lipid accumulation in larvae at 15 dpf. Here, we explored whether nuclear factor erythroid 2-related factor 2 (Nrf2), known as the master-regulator of the adaptive response to oxidative stress, contributes to metabolic impacts of 4-PCB-11-Sulfate. For this work, embryos were collected from homozygous wildtype or Nrf2a mutant adult zebrafish that also express GFP in pancreatic ¦Â-cells, rendering Tg(ins:GFP;nrf2afh318+/+) and Tg(ins:GFP;nrf2afh318-/-) lines. Exposures were conducted from 1-15 dpf to either 0.05% DMSO or DMSO-matched 0.2 ¦ÌM 4-PCB-11-Sulfate, and at 15 dpf subsets of larvae were imaged for overall morphol., primary pancreatic islet area, and collected for fatty acid profiling and RNAseq. At 15 dpf, independent of genotype, fish exposed to 4-PCB-11-Sulfate survived significantly more at 80-85% compared to 65-73% survival for unexposed fish, and had primary pancreatic islets 8% larger compared to unexposed fish. Fish growth at 15 dpf was dependent on genotype, with Nrf2a mutant fish a significant 3-5% shorter than wildtype fish, and an interaction effect was observed where Nrf2a mutant fish exposed to 4-PCB-11-Sulfate experienced a significant 29% decrease in the omega-3 fatty acid DHA compared to unexposed mutant fish. RNAseq revealed 308 differentially expressed genes, most of which were dependent on genotype. These findings suggest that Nrf2a plays an important role in growth as well as for DHA production in the presence of 4-PCB-11-Sulfate. Further research would be beneficial to understand the importance of Nrf2a throughout the lifecourse, especially in the context of toxicant exposures.

Aquatic Toxicology published new progress about 6217-54-5. 6217-54-5 belongs to catalysis-chemistry, auxiliary class Alkenyl,Carboxylic acid,Aliphatic hydrocarbon chain,Metabolic Enzyme,RAR/RXR,Natural product, name is Docosahexaenoic Acid, and the molecular formula is C22H32O2, Application of Docosahexaenoic Acid.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Smith, Samuel M.’s team published research in European Journal of Organic Chemistry in 2022 | CAS: 104-03-0

European Journal of Organic Chemistry published new progress about 104-03-0. 104-03-0 belongs to catalysis-chemistry, auxiliary class Nitro Compound,Carboxylic acid,Benzene, name is 4-Nitrophenylacetic acid, and the molecular formula is C15H23BO2, SDS of cas: 104-03-0.

Smith, Samuel M. published the artcileScope, Limitations and Mechanistic Analysis of the HyperBTM-Catalyzed Acylative Kinetic Resolution of Tertiary Heterocyclic Alcohols, SDS of cas: 104-03-0, the publication is European Journal of Organic Chemistry (2022), 2022(1), e202101111, database is CAplus.

The full scope and limitations of the catalytic acylative kinetic resolution of a range of tertiary heterocyclic alcs. (78 examples, s up to >200) is reported under operationally-simple conditions, using low loadings of a com. available Lewis basic isothiourea catalyst, HyperBTM (generally 1 mol %). The protocol is highly effective for the kinetic resolution of 3-substituted 3-hydroxyoxindole and ¦Á-substituted ¦Á-hydroxylactam derivatives bearing up to three potential recognition motifs at the stereogenic tertiary carbinol center. The full power of this methodol. has been showcased through the synthesis of highly enantioenriched biol.-active target compounds in both enantiomeric forms. To provide further insight into the reaction mechanism, a detailed kinetic anal. of this Lewis base-catalyzed acylation of tertiary alcs. is reported using the variable time normalization anal. (VTNA) method.

European Journal of Organic Chemistry published new progress about 104-03-0. 104-03-0 belongs to catalysis-chemistry, auxiliary class Nitro Compound,Carboxylic acid,Benzene, name is 4-Nitrophenylacetic acid, and the molecular formula is C15H23BO2, SDS of cas: 104-03-0.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Mamalis, P.’s team published research in Journal of the Chemical Society in | CAS: 6084-58-8

Journal of the Chemical Society published new progress about 6084-58-8. 6084-58-8 belongs to catalysis-chemistry, auxiliary class Salt,Amine,Aliphatic hydrocarbon chain, name is O-Isobutylhydroxylamine hydrochloride, and the molecular formula is C4H12ClNO, Category: catalysis-chemistry.

Mamalis, P. published the artcileAmino?xy derivatives. II. Some derivatives of N-hydroxybiguanide, Category: catalysis-chemistry, the publication is Journal of the Chemical Society (1960), 229-38, database is CAplus.

The preparation of some amino?xyalkanes and their corresponding biguanides, together with certain arylmethyl analogs, was described. A summary of bacteriostatic activities was included. Benzohydroxamates (I) were prepared by reaction of Na benzohydroxamate with an alkyl or arylmethyl halide. The following new I were obtained (substituent and m.p. or b.p. given): hexyl, 138-40¡ã/0.3 mm.; 4-methylbenzyl, 107-8¡ã; 4-chlorobenzyl, 162¡ã; 4-bromobenzyl, 176¡ã; 2-nitrobenzyl, 121¡ã; 3,4-dichlorobenzyl, 134¡ã; cinnamyl, 118-20¡ã; 1-naphthylmethyl, 140¡ã; 2-naphthylmethyl, 131¡ã; 2-methyl-1-naphthylmethyl, 150¡ã; 1-bromo-2-naphthylmethyl, 144¡ã; 8-quinolylmethyl, 133-4¡ã; 6-chloro-8-(1,3-benzodioxanylmethyl), 131-2¡ã. The required arylmethyl bromides were prepared by side chain bromination of toluenes and methylnaphthalenes with N-bromosuccinimide (II) in CCl4 in the presence of Bz2O2. 4-BrC6H4CH2Br, 1-(bromomethyl)naphthalene, and 1-bromo-(2-bromomethyl)naphthalene did not appear to have been prepared by this method. Bromination of 2-methylnaphthalene with II afforded 2-(bromomethyl)naphthalene, m. 48¡ã; in one run a substance, m. 128¡ã, was also obtained in low yield and shown to be 1-(dibromomethyl)naphthalene, since with refluxing H2O it yielded 2-naphthaldehyde, leaflets, m. 57-8¡ã; semicarbazone m. 245¡ã (Me2CO). The following I were prepared with properties in agreement with those in the literature: Me, Et, allyl, Bu, PhCH2, and 4-nitrobenzyl. Cinnamyl benzohydroxamate (1 g.) in 15 ml. alc. and 15 ml. EtOAc shaken 3 min. with H and 10% Pd-C gave 0.88 g. crude product and distillation at 120-40¡ã 33 ¡Á 10-5 mm. gave 3-phenylpropyl benzohydroxamate, m. 45-6¡ã. Benzohydroxamic acid (6.9 g.) and 2 g. NaOH in 50 ml. alc. refluxed 4 hrs. with 9-(chloromethyl)phenanthrene yielded 2.1 g. N-benzoyl-O,N-bis(9-phenanthrylmethyl)hydroxylamine, m. 209-10¡ã (aqueous HCONMe2). Addition of H2O to the original mother liquors precipitated 8.6 g. 9-phenanthrylmethyl benzohydroxamate, m. 160-1¡ã (EtOAc). K salt of hydroxyurethan and the alkyl bromides yielded alkyloxyurethans (III), colorless oils or low melting solids, purified by distillation or crystallization: (alkyl group and b.p./mm. or m.p. given): allyl, 123¡ã/28; isobutyl, 55¡ã/0.2; pentyl, 76¡ã/0.08; hexyl, 86¡ã/0.35; heptyl, 93¡ã/0.3; octyl, 98¡ã/0.04; nonyl, 103-4¡ã/0.3; decyl, 112¡ã/0.05; undecyl, 130¡ã/0.3; 2-methyldecyl, 128¡ã/0.2; tetradecyl, 39-40¡ã; hexadecyl, 40.5-1.5¡ã; octadecyl, 45-6¡ã. N-Decyl-N-decyloxyurethan was isolated as a by-product from the reaction of hydroxyurethan with decyl bromide, b0.1 154¡ã, nD18 1.4490. A mixture of 5.6 g. NH2OH.HCl, 12.5 g. anhydrous Na2CO3, and 37 ml. H2O added dropwise at 15-20¡ã to 13.4 g. benzyl chloroformate, the mixture stirred 4 hrs., acidified, and the liberated oil extracted with Et2O yielded 10.2 g. N-benzyloxycarbonylhydroxylamine (IV), m. 68-9¡ã (Et2O-ligroine). NaOH (0.96 g.) in 25 ml. alc. treated with 4 g. IV, the Na salt separated, after addition of 3.4 g. MeI the mixture refluxed 4 hrs., H2O added, the oily product isolated with Et2O, and the solvent removed gave 3.3 g. oil. The oil left overnight at room temperature with 10 ml. 20% solution HBr in AcOH, evaporated, and the residual solid crystallized from alc.-Et2O gave 1.5 g. amino?xymethane-HBr, plates, m. 102¡ã. Me benzohydroxamate (3 g.), 15 ml. concentrated HCl, and 15 ml. H2O refluxed 2 hrs., 2.1 g. BzOH collected, and the filtrate evaporated gave 1.4 g. amino?xy methane-HCl, plates, m. 148-9¡ã (EtOAc-alc.). Aminooxyethane-HCl obtained from III (allyl) crystallized as plates, m. 172-4¡ã. The above HCl salt (5.0 g.) in 50 ml. alc. shaken with H and 10% Pd-C gave 4.8 g. 1-amino?xypropane-HCl (V), m. 150-1¡ã (EtOAc). III (Pr) (11.5 g.) and 60 ml. 6% alc.-HCl refluxed 1 hr. gave 6.4 g. V. III (Pr) (11.1 g.) and 100 ml. 17% HCl refluxed 2 hrs. (black oil separated), cooled, extracted with Et2O, the aqueous layer evaporated, and the residual solid triturated with EtOAc-alc. gave 2.35 g. NH4Cl; the Et2O layer extracted with aqueous NaHCO3 gave 4.8 g. BzOH. Evaporation of the Et2O layer gave 2.95 g. material which on hydrolysis gave 2 g. BzOH and a little low boiling oil. III (Bu) (17 g.) and 80 ml. 6% alc.-HCl refluxed 2 hrs. gave 7.8 g. 1-amino?xybutane-HCl, plates, m. 155-6¡ã (EtOAc-alc.). 1-Amino?xypentane-HCl was similarly prepared as plates, m. 148¡ã. Amino?xyisobutane-HCl was prepared by alk. hydrolysis of the urethan as leaflets, m. 134-5¡ã (EtOAc). Amino?xyhexane-HCl similarly prepared, m. 151¡ã. 1-Amino?xyheptane-HCl separated as leaflets, m. 151-2¡ã (EtOAc-alc.). 1-Amino?xyoctane-HCl formed as plates, m. 147-9¡ã. 1-Amino?xynonane-HCl failed to crystallize and the crude material was used for the preparation of the biguanide. 1-Amino?xydecane-HCl crystallized as plates, m. 145.5-6.5¡ã (EtOAc-alc.), the HBr salt as plates, m. 135-6¡ã; the hydrochloride (2.1 g.) 1.25 g. salicylaldehyde, 0.4 g. NaOH in 2 ml. H2O, and 15 ml. alc. refluxed 1 hr. gave 1.9 g. 1-salicylideneamino?xydecane, lemon-yellow oil, b0.3 132¡ã. 1-Furfurylideneamino?xydecane was similarly prepared as a yellow oil, b0.08 114¡ã. 1-Aminooxyundecane-HCl crystallized similarly, m. 145-6¡ã. 1-Aminooxytetradecane-HCl separated as leaflets, m. 137-8¡ã. The base crystallized as leaflets, m. 68-70¡ã (EtOAc-ligroine). 1-Amino?xyhexadecane-HCl was obtained as leaflets, m. 133-4¡ã; free base, leaflets, m. 45-7¡ã (ligroine). 1-Aminooxyoctadecane crystallized as needles, m. 50-2¡ã. I (PhCH2) (4.3 g.) and 30 ml. 6% alc.-HCl refluxed 20 min. gave 2.7 g. amino?xymethylbenzene-HCl, m. 230-2¡ã. Similar preparations gave 88% p-amino?xymethyltoluene-HCl, leaflets, m. 233¡ã (alc.-H2O);-chlorobenzene-HCl, leaflets, m. 243¡ã; -bromobenzene-HCl, plates, m. 246-7¡ã (alc.-Et20); and -nitrobenzene-HCl, leaflets, m. 216¡ã; o-amino?xymethylnitrobenzene-HCl, needles, m. 165-6¡ã; 4-amino?xymethyl-1,2-dichlorobenzene-HCl, leaflets, m. 197¡ã (EtOAc-alc.); 3-amino?xypropylbenzene-HCl, plates, m. 168-9¡ã (alc.-Et2O); 1-amino?xymethylnaphthalene-HCl, needles, m. 198¡ã (EtOAc); 2-amino?xymethyl isomer, leaflets, m. 247¡ã (aqueous alc.) (N-benzyloxycarbonyl derivative, leaflets, m. 93-4¡ã); 1-amino?xymethyl-2-methylnaphthalene-HCl.H2O, needles, m. 192-3¡ã (alc.-Et2O); 2-amino?xymethyl-1-bromonaphthalene-HCl, needles, m. 199¡ã (alc.-H20); 9-amino?xymethylphenanthrene-HCl, needles, m. 216-17¡ã (alc.); and the 1-isomer, needles, m. 184-6¡ã. Chloromethylation of Tetralin gave a mixture, b15 142-8¡ã, of some 5- with 6-chloromethyl derivative of Tetralin. The mixture with Na benzhydroxamate gave mixed benzamido?xymethyl derivatives of Tetralin as a thick yellow oil. This (18 g.) refluxed 3 hrs. with 150 ml. 6% alc. HCl gave 6.8 g. 6-amino?xymethyl derivative -HCl of Tetralin, m. 190-1¡ã (alc.). 8-Amino?xymethyl-6-chloro-1,3-benzodioxan-HCl was prepared by alcoholysis of the benzohydroxamate as needles, m. 204-5¡ã (alc.-Et2O). Benzohydroxamate (3.2 g.) with alc. HCl gave 2.3 g. 8-amino?xymethylquinoline-2HCl, m. 193¡ã. The amino?xy HCl salt (0.1 mole), 0.1 mole dicyandiamide, and 70 ml. alc. refluxed 2-4 hrs., filtered, the mixture evaporated, and treated with alc.-HCl and Et2O gave the RONHC(:NH)(NHC(:NH)NH2 (VI).2HCl, which usually crystallized and was collected and recrystallized VI.2HCl were often deliquescent and this precluded anal. results. These compounds were characterized by their picrates. The following results were thus obtained (substituent and derivative of VI, and m.p. given): Me, 2HCl, 183-4¡ã; Et, 2HCl, 180-1¡ã; Et, picrate, 235-6¡ã; Pr, 2HCl, 142-7¡ã; Pr, picrate, 219-20¡ã; Bu, 2HCl, 135-6¡ã; iso-Bu, 2HCl, 142-4¡ã; iso-Bu, picrate, 225¡ã; pentyl, 2HCl, 129-33¡ã;pentyl, 95-6¡ã; pentyl, picrate, 204-5¡ã; hexyl, 2HCl, 138-41¡ã; hexyl, picrate, 204-5¡ã; hexyl, -, 102-3¡ã; heptyl, 2HCl, 135-7¡ã; heptyl, picrate, 210¡ã; octyl, -, 99-100¡ã; octyl, picrate, 209¡ã; nonyl, 2HCl, 148-52¡ã; decyl, 2HCl, 123-30¡ã; decyl, -, 100-1¡ã; decyl, picrate, 204-5¡ã; undecyl, 2HCl, 145-8¡ã 2-methyldecyl, 2HCl, 108-11¡ã; dodecyl, 2HCl, 162-4¡ã; dodecyl, picrate, 207-8¡ã; tetradecyl, HCl, 140¡ã; tetradecyl, picrate, 210-12¡ã; hexadecyl, -, 101-3¡ã. Benzyloxybiguanide-2HCl (VII) crystallized as needles, m. 150-1¡ã (alc.-EtOAc); the base-formed as plates, m. 111¡ã (H2O) [picrate, leaflets, m. 226-7¡ã (alc.-Me2CO)]. VII (1.4 g.) in 15 ml. alc. shaken 15 min. with H and 10% Pd-C, the filtered solution evaporated, the gum triturated with Et2O, and the product crystallized gave hydroxybiguanide-2HCl (VIII), m. 139-40¡ã (alc.-Et2O). In a 2nd experiment the filtered hydrogenation solution seeded yielded the pure material directly. The aqueous solution of VIII with aqueous Li picrate gave the picrate, yellow prisms, m. above 300¡ã, which appeared to be guanylurea picrate. On prolonged storage VIII decomposed to guanylurea-HCl, m. 173-4¡ã. p-Amino?xymethyltoluene-HCl (8.5 g.), 4.1 g. dicyandiamide (IX), and 50 ml. alc. refluxed 2 hrs.. evaporated, treated with alc.-HCl, Et2O, the 8 g. di-HCl salt dissolved in the min. amount of hot H2O, and basified gave the base as leaflets, m. 177¡ã (EtOAc-alc.). Isonicotinonoylhydrazine (X) (1.35 g.), 0.84 g. IX, and 15 ml. MeOH refluxed 24 hrs. gave 1.92 g. prisms, m. 138-42¡ã. This substance with picric acid gave isonicotinoylhydrazine dipicrate-H2O, m. 204-5¡ã. X (1.35 g.), 0.84 g. IX, 15 ml. MeOH, and 1 ml. concentrated HCl refluxed 1 hr. gave 1.86 g. isonicotinamidobiguanide-2HCl, m. 200¡ã (H2O). The following RONHC(:NH)NHC(:NH)NH2 were prepared (substituent, and derivative and m.p. given): p-ClC6H4CH2, -; 175¡ã; o-BrC6H4CH2, -, 188¡ã; p-O2NC6H4CH2, HCl, 216¡ã; o-O2NC6H4CH2. HCl, 179¡ã; 3,4-Cl2C6H3CH2, 2HCl, 171¡ã; 3-phenylpropyl, 2HCl.EtOH, 153-5¡ã; 1-naphthylmethyl, -, 145¡ã; 2-naphthylmethyl, -, 213¡ã; 1-methyl-2-naphthylmethyl, -, 1658¡ã; 1-bromo-2-naphthylmethyl, -, 158-60¡ã; 9-phenanthrylmethyl, H2O, 107-8¡ã; 9-phenanthrylmethyl, -, 95-8¡ã; 1-phenanthrylmethyl, H2O, 190¡ã; 6-tetrahydronaphthylmethyl, 2HCl, 138-41¡ã; 6-tetrahydronaphthylmethyl, -, 157-8¡ã; 6-chloro-8-(1,3-benzodioxanyl)methyl, -, 191-2¡ã. Benzohydrazide (20 g.), 12.5 g. IX, and 100 ml. alc. containing 5.1 g. dry HCl refluxed 3 hrs. gave 26.9 g. benzamidobiguanide-2HCl, m. 169-70¡ã (alc.-H2O). 1-Amino?xydecane (XI) (1.32 g.), 0.64 g. IX, and 10 ml. alc. refluxed 20 hrs. gave 0.60 g. unchanged IX and 1.2 g. XI. 8-Amino?xymethyl-6-chloro-1,3-benzodioxan (1.24 g.), 0.48 g. IX, and 10 ml. MeOH refluxed 20 hrs. gave only unchanged materials. IX was recovered when refluxed 24 hrs. in MeOH. ¦Á-Amino?xyheptanoic acid-HCl (2 g.) refluxed 1 hr. with 20 ml. 5% MeOH-HCl and evaporated gave a gum, which refluxed 2 hrs. with 0.84 g. IX and 20 ml. alc., then 2 hrs. with 25 ml. N NaOH, the solvent removed, the product taken up in H2O, brought to pH 6, and the solid collected gave 1.5 g. monohydrate, m. 127-8¡ã. Distillation with xylene gave 1-carboxyhexyloxybiguanide, m. 194¡ã. ¦Á-Amino?xyoctanoic acid (1 g.) in 20 ml. MeOH saturated with HCl refluxed 2 hrs., evaporated, the gum refluxed 2 hrs. with 0.48 g. IX, and 10 ml. alc., and hydrolyzed gave 0.5 g. 1-carboxyheptyloxybiguanide-H2O, m. 129-31¡ã (aqueous alc.). ¦Á-Amino?xynonanoic acid (0.8 g.) treated as above gave 0.3. g. 1-carboxyoctyloxybiguanide-H2O, m. 128-9¡ã. ¦Á-Amino?xydecanoic acid (1 g.) similarly gave 1.1 g. 1-carboxynonyloxybiguanide. H2O, m. 122-5¡ã (aqueous alc.), and thence by use of xylene 1-carboxynonyloxy-biguanide, m. 187-8¡ã.

Journal of the Chemical Society published new progress about 6084-58-8. 6084-58-8 belongs to catalysis-chemistry, auxiliary class Salt,Amine,Aliphatic hydrocarbon chain, name is O-Isobutylhydroxylamine hydrochloride, and the molecular formula is C4H12ClNO, Category: catalysis-chemistry.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Lopez, S.’s team published research in Semiconductor Science and Technology in 11 | CAS: 6972-05-0

Semiconductor Science and Technology published new progress about 6972-05-0. 6972-05-0 belongs to catalysis-chemistry, auxiliary class Thiourea,Amine,Aliphatic hydrocarbon chain,Amide, name is 1,1-Dimethylthiourea, and the molecular formula is C3H8N2S, Name: 1,1-Dimethylthiourea.

Lopez, S. published the artcileSpray pyrolysis deposition of Sn2S3 thin films, Name: 1,1-Dimethylthiourea, the publication is Semiconductor Science and Technology (1996), 11(3), 433-6, database is CAplus.

Ternary compound SnIISnIVS3 thin films were prepared on Pyrex glass substrates by the spray pyrolysis process using Sn chloride (SnCl2) and n,n-dimethylthiourea as starting materials. The depositions were carried out at a substrate temperature of 320¡ã. The identification of the Sn2S3 phase was achieved by x-ray diffraction measurements. The optical reflectance and transmittance of the prepared films were used to obtain the variation of the refractive index and the extinction coefficient as a function of the wavelength. These calculated values were used to find the absorption coefficient and the optical bandgap and gave Eg = 1.16 eV. From measurements of the conductance as a function of T-1, a dark activation energy was determined with a value of 1.02 eV.

Semiconductor Science and Technology published new progress about 6972-05-0. 6972-05-0 belongs to catalysis-chemistry, auxiliary class Thiourea,Amine,Aliphatic hydrocarbon chain,Amide, name is 1,1-Dimethylthiourea, and the molecular formula is C3H8N2S, Name: 1,1-Dimethylthiourea.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Lyu, SuPing’s team published research in Polymer in 48 | CAS: 28056-87-3

Polymer published new progress about 28056-87-3. 28056-87-3 belongs to catalysis-chemistry, auxiliary class Amine,Aliphatic hydrocarbon chain, name is 2-Ethyl-N,N-dimethylhexan-1-amine, and the molecular formula is C10H23N, Synthetic Route of 28056-87-3.

Lyu, SuPing published the artcileNano-adsorbents control surface properties of polyurethane, Synthetic Route of 28056-87-3, the publication is Polymer (2007), 48(20), 6049-6055, database is CAplus.

Additives are minor but critical components that polymers need for processing and applications. However, these additives may also have adverse effects, e.g. for polymeric biomaterials, leaching additives can change surface properties, and may lead to poor biocompatibility. How to use additives yet keep them from detrimental behaviors is a challenging issue. Diffusion barriers may be used to slow down the additive migration but difficult to stop it. In this paper, the authors introduce the concept of “nano-adsorbents” in polymers. These nano-adsorbents confined the additives within the polymers by thermodynamically interacting with them. While the additives are still present in polymers to provide intended functions, they are thermodynamically constrained from free migration to the surface. Nano sized-fillers were selected due to their high surface to volume ratio. This new usage of nano-fillers for polymers was demonstrated with a biomedical polyurethane and a surface coated nanoclay that thermodynamically attracts the additive in the polyurethane.

Polymer published new progress about 28056-87-3. 28056-87-3 belongs to catalysis-chemistry, auxiliary class Amine,Aliphatic hydrocarbon chain, name is 2-Ethyl-N,N-dimethylhexan-1-amine, and the molecular formula is C10H23N, Synthetic Route of 28056-87-3.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Bark, L. S.’s team published research in Analyst in 85 | CAS: 1798-04-5

Analyst published new progress about 1798-04-5. 1798-04-5 belongs to catalysis-chemistry, auxiliary class Carboxylic acid,Benzene,Ether, name is 2-(4-(tert-Butyl)phenoxy)acetic acid, and the molecular formula is C12H16O3, COA of Formula: C12H16O3.

Bark, L. S. published the artcileThe effect of substituent groupings on the chromatographic behavior of phenoxyacetic acids. III. The effect of the nature of the substituent, COA of Formula: C12H16O3, the publication is Analyst (1960), 907-8, database is CAplus.

Para substituted phenoxyacetic acids were studied. The results indicate that the greater the probability of H bonding between the substituent and the stationary phase, the greater is the adsorption of the acid and hence the lower the Rf.

Analyst published new progress about 1798-04-5. 1798-04-5 belongs to catalysis-chemistry, auxiliary class Carboxylic acid,Benzene,Ether, name is 2-(4-(tert-Butyl)phenoxy)acetic acid, and the molecular formula is C12H16O3, COA of Formula: C12H16O3.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia