Tag: M.W=200-250

Xu, Liang published the artcile{2-[2-(Carboxymethoxy)phenoxy]acetato}[2,2′-(o-phenylenedioxy)diacetic acid]sodium 4,4′-bipyridine hemisolvate monohydrate, Computed Properties of 5411-14-3, the publication is Acta Crystallographica, Section E: Structure Reports Online (2010), 66(8), m867, database is CAplus and MEDLINE.

In the title compound, [Na(C₁₀H₉O₆)(C₁₀H₁₀O₆)]¡¤0.5C₁₀H₈N₂¡¤H₂O, the Na atom is eight-coordinated in an distorted dicapped-octahedral geometry by eight O atoms from a 2-(2-carboxymethoxyphenoxy)acetate (o-BDOAH) anion and a 2,2′-(o-phenylenedioxy)diacetic acid (o-BDOAH₂) mol. The uncoordinated 4,4′-bipyridine mol. is arranged around an inversion center and exhibits rotational disorder. A three-dimensional supramol. network is built up in the crystal through O-H…O and O-H…N hydrogen bonds between the uncoordinated water mol., the uncoordinated 4,4′-bipyridine mol. and the sodium complex mol. Crystallog. data are given.

Acta Crystallographica, Section E: Structure Reports Online 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 C8H10O2, Computed Properties of 5411-14-3.

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

Qian, Jiangang published the artcileEffects of adsorption and surface micellization of dodecylammonium acetate on the stability of silica suspension, Safety of Dodecylamineacetate, the publication is Wuli Huaxue Xuebao (1996), 12(8), 698-703, database is CAplus.

The adsorption of dodecylammonium acetate (DAA) on CAB-O-SIL was investigated; the adsorption isotherm of DAA shows two plateaus (i.e. LS-type). The addition of sodium chloride increases the adsorption of DAA, but no significant change can be found in the first plateau at low concentrations, while the addition of hydrochloric acid decreases the adsorption of DAA in the exptl. concentration region. The stability of CAB-O-SIL suspension was determined for the corresponding solutions Based on the two-step model of the surfactant adsorption theory proposed previously, and with the aid of conductivity measurements, the coagulation regularity of CAB-O-SIL suspension can be explained satisfactorily.

Wuli Huaxue Xuebao published new progress about 2016-56-0. 2016-56-0 belongs to catalysis-chemistry, auxiliary class Active Esterification, name is Dodecylamineacetate, and the molecular formula is C14H31NO2, Safety of Dodecylamineacetate.

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

Huang, Wen published the artcileAggregation behavior of dodecylammonium carboxylates in carbon tetrachloride, HPLC of Formula: 2016-56-0, the publication is Huaxue Xuebao (1996), 54(10), 943-948, database is CAplus.

The aggregation of dodecylammonium acetate (DAA), dodecylammonium propionate (DAP) and dodecylammonium butyrate (DAB) were studied by an iodine spectrometric method and by H₂O solubilization. The (cmc)_I determined by the I method are 2.0 ¡Á 10^-4, 2.2 ¡Á 10^-4, and 4.3 ¡Á 10^-4 M, resp.; the (cmc)_W determined by H₂O solubilization are 2.0 ¡Á 10^-3, 3.5 ¡Á 10^-3, and 10.5 ¡Á 10^-3 M, resp. The (cmc)_I are lower by 1 order of magnitude than the corresponding (cmc)_W. The reason is probably that aggregates with low aggregation number which begin to form at (cmc)_I cannot solubilize H₂O. The H₂O solubilization starts only when the aggregation number of reverse micelles is high enough, which occurs at (cmc)_W (a concentration much higher than (cmc)_I). These experiments show that reverse micelles of DAA, DAP, and DAB are able to solubilize ¡Ü 4.3, ¡Ü 9.4, and ¡Ü 13.5 mols. of H₂O per surfactant mol., resp. According to a simplified spherical reverse micelle model, the aggregation numbers of the DAA, DAP, and DAB reverse micelles which solubilize the limiting amount of H₂O are 24, 122, and 252; the radii of the H₂O pools are 0.90, 2.02, and 2.90 nm, and the radii of the free H₂O pools are 0.33, 1.68 and 2.58 nm, resp.

Huaxue Xuebao published new progress about 2016-56-0. 2016-56-0 belongs to catalysis-chemistry, auxiliary class Active Esterification, name is Dodecylamineacetate, and the molecular formula is C14H31NO2, HPLC of Formula: 2016-56-0.

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

Dilman, A. D. published the artcileTrifluoromethylation and pentafluorophenylation of enamines, Recommanded Product: Trimethyl(perfluorophenyl)silane, the publication is Russian Chemical Bulletin (2007), 56(8), 1522-1525, database is CAplus.

Reaction of enamines, e.g., I, with Me₃SiCF₃ and Me₃SiC₆F₅ in the presence of carboxylic acids leading to ¦Á-CF₃– and ¦Á-C₆F₅-substituted amines, e.g., II, has been studied. 3-Cyanobenzoic acid was found to be the optimal promoter of these reactions.

Russian Chemical Bulletin published new progress about 1206-46-8. 1206-46-8 belongs to catalysis-chemistry, auxiliary class Organic Silicones, name is Trimethyl(perfluorophenyl)silane, and the molecular formula is C9H9F5Si, Recommanded Product: Trimethyl(perfluorophenyl)silane.

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

Bisaro, F. published the artcileCross-metathesis, a versatile synthetic methodology for the construction of alkenyl phosphine oxides and bis-phosphine oxides, Computed Properties of 4141-48-4, the publication is Tetrahedron Letters (2003), 44(38), 7133-7135, database is CAplus.

Substituted vinyl and allyl phosphine oxides were prepared by olefin cross-metathesis providing exclusive E olefin stereochem. The methodol. was successfully extended to the preparation of various bis-phosphine oxides.

Tetrahedron Letters 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, Computed Properties of 4141-48-4.

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

Zhu, Qilei published the artcileIntermolecular Anti-Markovnikov Hydroamination of Unactivated Alkenes with Sulfonamides Enabled by Proton-Coupled Electron Transfer, Application In Synthesis of 22693-41-0, the publication is Journal of the American Chemical Society (2018), 140(2), 741-747, database is CAplus and MEDLINE.

Here authors report a catalytic method for the intermol. anti-Markovnikov hydroamination of unactivated alkenes using primary and secondary sulfonamides. These reactions occur at room temperature under visible light irradiation and are jointly catalyzed by an iridium(III) photocatalyst, a dialkyl phosphate base, and a thiol hydrogen atom donor. Reaction outcomes are consistent with the intermediacy of an N-centered sulfonamidyl radical generated via proton-coupled electron transfer activation of the sulfonamide N-H bond. Studies outlining the synthetic scope (>60 examples) and mechanistic features of the reaction are presented.

Journal of the American Chemical Society published new progress about 22693-41-0. 22693-41-0 belongs to catalysis-chemistry, auxiliary class Other Functionalization Reagent, name is 2,4,6-Triisopropylbenzenethiol, and the molecular formula is C22H12F6O6S2, Application In Synthesis of 22693-41-0.

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

Bark, L. S. published the artcileThe effect of substituent groupings on the chromatographic behavior of phenoxyacetic acids. II. Chloro-substituted phenoxyacetic acids, Related Products of catalysis-chemistry, the publication is Analyst (1960), 905-7, database is CAplus.

Twelve chloro-substituted phenoxyacetic acids (2-, 3-, and 4-chloro, 2,3-, 2,4-, 2,5-, 2,6-, 3,4- and 3,5-dichloro, 2,4,5- and 2,4,6-trichloro) were studied. The acid can be adsorbed on paper by attachment of both the acid group and the substituent group to the cellulose, the substituent being attached by H bonding between the OH groups of the cellulose and the electroneg. atom of the substituent. The relatively low adsorption of acids substituted in both the 2 and 6 positions is probably caused by restriction of rotation of the phenoxyacetic acid grouping, resulting in attachment by this group only.

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, Related Products of catalysis-chemistry.

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

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 R_f.

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

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

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