Month: December 2022

Brunschwig, Christel published the artcileVolatile composition and sensory properties of Vanilla ¡Átahitensis bring new insights for vanilla quality control, Synthetic Route of 31719-76-3, the publication is Journal of the Science of Food and Agriculture (2016), 96(3), 848-858, database is CAplus and MEDLINE.

BACKGROUND : Vanilla ¡Átahitensis produced in French Polynesia has a unique flavor among vanilla species. However, data on volatiles and sensory properties remain limited. In this study, the volatile composition and sensory properties of V. ¡Átahitensis from three Polynesian cultivars and two origins (French Polynesia/Papua New Guinea) were determined by gas chromatog.-mass spectrometry and quant. descriptive anal., resp., and compared to Vanilla planifolia. RESULTS : Vanilla species, origins and cultivars were differentiated by their volatile and sensory profiles using principal component anal. The V. ¡Átahitensis flavor from French Polynesia was characterized by a well-balanced sensory profile, having strong anise and caramel notes due to high levels of anisyl compounds V. ¡Átahitensis from Papua New Guinea was distinct from that of French Polynesia, having strong spicy, fruity, brown rum notes due to p-vinylguaiacol, p-cresol and esters. Vanilla planifolia showed stronger phenolic, woody, smoky notes due to guaiacol, creosol and phenol, which were found to be biomarkers of the species. Vanilla sensory properties were linked by partial least squares regression to key volatile compounds like guaiacol or creosol, which are indicators of lower quality. CONCLUSION : This study brings new insights to vanilla quality control, with a focus on key volatile compounds, irresp. of origin. ? 2015 Society of Chem. Industry.

Journal of the Science of Food and Agriculture published new progress about 31719-76-3. 31719-76-3 belongs to catalysis-chemistry, auxiliary class Carboxylic acid,Benzene,Ether, name is 4-(Phenoxymethyl)benzoic acid, and the molecular formula is C14H12O3, Synthetic Route of 31719-76-3.

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

Tagliaferro, Marina published the artcileAssessment of metal exposure (uranium and copper) in fatty acids and carbohydrate profiles of Calamoceras marsupus larvae (Trichoptera) and Alnus glutinosa leaf litter, Category: catalysis-chemistry, the publication is Science of the Total Environment (2022), 155613, database is CAplus and MEDLINE.

Physiol. changes were explored in fatty acids (FA) and carbohydrate (CHO) composition in the shredder Calamoceras marsupus larvae (Trichoptera) and leaf litter (C. marsupus food) exposed to copper and uranium under natural and exptl. conditions. We measured FA and CHO content in leaf litter and larvae specimens from reference and impacted streams, and exposed for 5 wk to four realistic environmental concentrations of copper (35¦Ìg L-1 and 70¦Ìg L-1) and uranium (25¦Ìg L-1 and 50¦Ìg L-1). Regarding FA, (1) leaf litter had a reduced polyunsaturated FA (PUFA) content in metal treatments, s (14 to 33% of total FA), compared to natural conditions (¡Ý39% of total FA). Leaf litter exposed to uranium also differed in saturated FA (SFA) composition, with lower values in natural conditions and higher values under low uranium concentrations (2) C. marsupus had/showed low PUFA content under Cu and U exposure, particularly in high uranium concentrations Detritivores also decreased in PUFA under exposure to both metals, particularly in high uranium concentrations On the other hand, (1) microorganisms of the biofilm colonizing leaf litter differed in CHO composition between natural (impacted and reference) and exptl. conditions, with glucose and galactose being consistently the most abundant sugars, found in different amounts under copper or uranium exposure; (2) CHO of detritivores showed similar high galactose and fucose concentrations in contaminated streams and high copper treatments, whereas low copper treatment showed distinct CHO profiles, with higher mannose, glucose, arabinose, and fucose concentrations Our study provides evidence of metal exposure effects on FA and CHO contents at different trophic levels, which might alter the quality of food flow in trophic webs.

Science of the Total Environment 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 C7H5ClN2S, Category: catalysis-chemistry.

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

Otero, Elver published the artcileSynthesis and leishmanicidal activity of cinnamic acid esters: structure-activity relationship, Computed Properties of 16909-09-4, the publication is Medicinal Chemistry Research (2014), 23(3), 1378-1386, database is CAplus.

Several cinnamic acid esters were obtained via Fischer esterification of cinnamic acids derivatives with aliphatic alcs. Structures of the products were elucidated by spectroscopic anal. The synthesized compounds were evaluated for antileishmanial activity against L. (V) panamensis amastigotes and cytotoxic activity was evaluated against mammalian U-937 cells. The compounds 11, 15-17, and 23, were active against Leishmania parasite and although toxic for mammalian cells, they still are potential candidates for antileishmanial drug development. A SAR anal. indicates that first, while smaller alkyl chains lead to higher selectivity indexes (10, 11 vs. 12-17); second, the degree of oxygenation is essential for activity, primarily in positions 3 and 4 (17 vs. 18-20 and 22); and third, hydroxyl groups increase both activity and cytotoxicity (14 vs. 23). On the other hand, the presence of a double bond in the side chain is crucial for cytotoxicity and leishmanicidal activity (12 vs. 21). However, further studies are required to optimize the structure of the promising mols. and to validate the in vitro activity against Leishmania demonstrated here with in vivo studies.

Medicinal Chemistry Research published new progress about 16909-09-4. 16909-09-4 belongs to catalysis-chemistry, auxiliary class Alkenyl,Carboxylic acid,Benzene,Ether, name is (E)-3-(2,4-Dimethoxyphenyl)acrylic acid, and the molecular formula is C11H12O4, Computed Properties of 16909-09-4.

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

Rapson, Wm. Sage published the artcileSynthesis of substances related to the sterols. VII, Recommanded Product: 2-(3-(Benzyloxy)phenyl)acetic acid, the publication is Journal of the Chemical Society (1935), 1533-43, database is CAplus.

Et 1-methyl-¦¤²-cyclopentene-1-carboxylate (I), b₁₃ 70-1¡ã, results from the HO ester and P₂O₆ in C₆H₆; the acid b₁₄ 110¡ã. Reduction of the Et ester gives 70% of 1-methyl-¦¤²-cyclopentenyl-1-carbinol (II), b₇₆₀ 162-5¡ã (p-nitrobenzoate, m. 67¡ã); PCl₅ in petr. ether gives the chloride, b₁₈ 40-56¡ã, which does not condense with AcCHNaCO₂Et in EtOH or C₆H₆. Dehydration of II with KHSO₄ gives a dihydrotoluene(?), b. 112-13¡ã. Electrolytic reduction of 35 g. of m-MeOC₆H₄CHO (4 amps., c. d., 0.025 amp./sq. cm.) for 3 hrs. gives 20 g. m-MeOC₆H₄CH₂OH (III) and 9 g. of 3,3′-dimethoxyhydrobenzoin ¦Á,¦Á’-di-Me ether, m. 112-13¡ã. III was converted through the chloride and nitrile to Et m-methoxyphenylacetate, which was reduced with Na and EtOH to ¦Â-m-methoxyphenylethyl alc., b₁₂ 135-7¡ã; the chloride, b₁₄ 128-30¡ã, reacts sluggishly with AcCHNaCO₂Et; Et ¦Â-m-methoxyphenylethylacetoacetate b₂ 180¡ã; hydrolysis gives ¦Ã-m-methoxyphenylpropyl Me ketone, b₁₉ 168¡ã (semicarbazone, m. 109¡ã); condensation with I did not give a pure ¦Â-diketone. The K salt of Et trans-cyclopentane-1-carboxylate-2-cyanoacetate and PhCH₂Ch₂Br give Et ¦Á-cyano-¦Á-(trans-2-carbethoxycyclopentyl)-¦Ã-phenylbutyrate, b₁ 195-200¡ã; hydrolysis with concentrated HCl (boiling 30 hrs.) gives ¦Á-cyano-¦Á-(trans-2-carboxycyclopentyl)-¦Ã-phenylbutyric acid, m. 210¡ã (decomposition); boiling with H₂SO₄ and AcOH gives ¦Á-(trans-2-carboxycyclopentyl)-¦Ã-phenylbutyric acid, m. 160-1¡ã; the trans-anhydride, m. 112¡ã, on heating at 250¡ã for 15 min., gives the cis-anhydride, which did not crystallize; the cis-acid m. 133¡ã. The trans-acid with H₂SO₄ gives 1-keto-2-(trans – 2′ – carboxycyclopentyl) – 1,2,3,4 – tetrahydronaphthalene, m. 164-5¡ã; heating with Ac₂O and AcONa and decomposition of the anhydride gives the cis-isomer, m. 155-6¡ã. The Me ester of the trans-acid m. 45¡ã; this did not react with BrCH₂CO₂Et and Zn. Both acids react with SOCl₂ in CHCl₃ to yield the trans- and cis- forms of 1-hydroxy – 2 – (2′ – carboxycyclopentyl) – 3,4 – dihydroxynaphthalene lactone, m. 162¡ã and 66¡ã, resp. The transform, monoclinic needles elongated along a, with the faces {021}, {100} developed; the dimensions of the unit cell are a = 8.2, b = 23.4, c = 13.6, ¦Â = 68¡ã; with a density of about 1.315, the number of mols. in the cell is 8; the cis-form crystallizes in triclinic plates, a = 7.27, b = 16.75; d. (001) = 11.0, ¦Ã = 75¡ã; d. 1.267, number of mols. in the unit cell, 4. Catalytic reduction of the trans-lactone yields 2-(2′-trans-carboxycyclopentyl)-1,2,3,4-tetrahydronaphthalene, m. 107¡ã. Et cyclopentan-2-one-1-carboxylate in PCl₅ in light petroleum gives Et 2-chloro-¦¤¹-cyclopentene-1-carboxylate, b₁₂ 95-8¡ã, and a small quantity of the acid, m. 115-16¡ã; this ester did not condense with AcCHNaCO₂Et or CHNa(CO₂Et)₂. m-HOC₆H₄CHO and PhCH₂Cl with Na give m-benzyloxybenzaldehyde, b₂₀ 215-18¡ã, m. 54¡ã; hippuric acid and Ac₂O give m-methoxybenzylidenephenylisoxazolone, yellow, m. 129¡ã; hydrolysis gives m-benzyloxyphenylpyruvic acid, m. 145¡ã but it decomposes on keeping; alk. H₂O₂ gives m-benzyloxyphenylacetic acid (IV), m. 126¡ã. Since debenzylation could not be avoided in further work methoxylated intermediates were used. The dry Na salt of IV, 6,3-O₂N-(MeO)C₆H₃CHO (V) and Ac₂O, heated on the water bath for 24 hrs., give 2-nitro-5-methoxy-¦Á-(m-benzyloxyphenyl)cinnamic acid, pale yellow, m. 148¡ã; 2-NH₂ derivative, m. 137¡ã. m-MeOC₆H₄CH₂CO₂Na, V and Ac₂O give 2-nitro-5-methoxy-¦Á-(m-methoxyphenyl)cinnamic acid, yellow, m. 148¡ã; 2-NH₂ derivative, m. 185¡ã; the diazo reaction gives 63% of a mixture of 44% 2,7-dimethoxyphenanthrene-9-carboxylic acid, pale yellow, m. 265¡ã, and 56% of the 2,5-isomer, pale yellow, m. 191¡ã. Decarboxylation gives 2,7-dimethoxyphenanthrene and the 2,5-isomer, m. 117¡ã (picrate, orange-red, m. 154-6¡ã). 2,5-Dihydroxyphenanthrene, m. 180¡ã; di-Ac derivative, m. 144¡ã. In the preparation of ¦Â-2-hydroxy-1-naphthylethyl Me ketone a by-product is 2-methyl-5,6-(1,2-naphtho)-¦Ã-pyran, b₁₆ 190¡ã, m. 44-5¡ã. The K derivative of Et cyclopentanonecarboxylate and octyl bromide, boiled 7 hrs. in C₆H₄Me₂, give Et 1-octylcyclopentan-2-one-1-carboxylate, b₁ 157-65¡ã (85% yield) (semicarbazone, m. 117¡ã); hydrolysis with Ba(OH)₂ gives ¦Á-octyladipic acid, m. 74¡ã, and 2-octylcyclopentanone, b₁₁ 135-8¡ã (semicarbazone, m. 183¡ã); reduction of the ketone yields 2-octylcyclopentanol, b₂₃ 161¡ã, b₈ 140¡ã; bromide, b₈ 135-40¡ã. Octyl-¦¤¹-cyclopentene and MeO₂CCH₂CH₂COCl with SnCl₂ or AlCl₃ give 2-(¦Â-carbomethoxypropionyl)-1-octyl-¦¤¹-cyclopentene, b₁ 173-7¡ã, n_D¹⁵ 1.4818. Work of R. Hirt on cyclopentanone-2-¦Â-propionic acid is described. Refluxing the acid with AcCl gives the enolic lactone, b₁₇ 116-7¡ã; cyclopentanol-2-¦Â-propionic acid lactone, b₁₈ 138-9¡ã. PhCH₂CH₂CH₂Ac and 85% H₂SO₄ at 0¡ã give 74% of 1-methyl-3,4-dihydronaphthalene, b₁₄ 107-8¡ã.

Journal of the Chemical Society published new progress about 1860-58-8. 1860-58-8 belongs to catalysis-chemistry, auxiliary class Carboxylic acid,Benzene,Ether, name is 2-(3-(Benzyloxy)phenyl)acetic acid, and the molecular formula is C15H14O3, Recommanded Product: 2-(3-(Benzyloxy)phenyl)acetic acid.

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

Lafferty, Walter J. published the artcileFar-infrared spectra of solid methyl halides, Recommanded Product: Difluorodiphenylsilane, the publication is Journal of Chemical Physics (1962), 83-6, database is CAplus.

The infrared spectra of solid MeCl, MeBr, MeI, CD₃Cl, CD₃Br, and CD₃I were measured at 130-30 cm.^-1 at 78¡ãK. Two sharp bands were found in the chloride and the bromide, and 3 in the iodide. These absorptions arise from lattice vibrational modes. The isotopic shifts exclude libration about the symmetry axis as a possible assignment for any of the bands; however, definite assignments to B-axis librations or translational modes cannot be made with confidence.

Journal of Chemical Physics published new progress about 312-40-3. 312-40-3 belongs to catalysis-chemistry, auxiliary class Organic Silicones, name is Difluorodiphenylsilane, and the molecular formula is C12H10F2Si, Recommanded Product: Difluorodiphenylsilane.

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

Taylor, M. D. published the artcileImproving the yield of 2-[¹⁸F]fluoro-2-deoxyglucose using a microwave cavity, Quality Control of 17351-62-1, the publication is Nuclear Medicine and Biology (1996), 23(5), 605-609, database is CAplus and MEDLINE.

We have investigated the use of a microwave cavity (Labwell AB, Sweden) to improve the radiochem. yield of 2-[¹⁸F]-fluoro-2-deoxyglucose (2-[¹⁸F]-FDG). After characterizing the heating properties of the cavity, three steps of the Hamacher 2-[¹⁸F]-FDG preparation which require heating-azeotropic distillation of the target water, nucleophilic substitution, and hydrolysis of the product-were investigated sep. The average radiochem. yield of 2-[¹⁸F]-FDG for the microwave preparation, using the phase transfer reagent tetrabutylammonium bicarbonate, was 62 ¡À 4% (72 ¡À 5%, decay corrected, preparation time = 31 min).

Nuclear Medicine and Biology published new progress about 17351-62-1. 17351-62-1 belongs to catalysis-chemistry, auxiliary class Salt,Amine, name is Tetrabutylammonium hydrogencarbonate, and the molecular formula is C12H16N2O2, Quality Control of 17351-62-1.

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

Mercer, Sean M. published the artcileDesign, synthesis, and solution behaviour of small polyamines as switchable water additives, Recommanded Product: Propane-1,3-diamine dihydrochloride, the publication is Green Chemistry (2012), 14(3), 832-839, database is CAplus.

The practice of adding salt to water to induce salting out of contaminants or to break emulsions and suspensions is generally avoided industrially because of the expense of the necessary treatment of the salty water afterwards. However, the use of switchable water, an aqueous solvent with switchable ionic strength, allows for reversible generation and elimination of salts in aqueous solution, through the introduction and removal of CO₂. In the effort to improve the efficiency of these switchable salts, a phys. study modeling their reactivity and solution behavior has been performed, resulting in a set of design principles for future switchable water additives. The resulting polyamines synthesized using this template show the highest efficiency recorded for a switchable water additive.

Green Chemistry published new progress about 10517-44-9. 10517-44-9 belongs to catalysis-chemistry, auxiliary class Salt,Amine,Aliphatic hydrocarbon chain, name is Propane-1,3-diamine dihydrochloride, and the molecular formula is C3H12Cl2N2, Recommanded Product: Propane-1,3-diamine dihydrochloride.

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

Satge, Jacques published the artcileInsertion reaction of germanium fluoride (GeF2) into a variety of ¦Ò type bonds, Application In Synthesis of 312-40-3, the publication is Comptes Rendus des Seances de l’Academie des Sciences, Serie C: Sciences Chimiques (1974), 278(21), 1309-12, database is CAplus.

The in-sertion of F2Ge into RX gave RGeXF2 (R = Et, MeOCH2; X = Cl, Br, iodo). Phenylchlorosilanes, Ph3SiCl, Ph2SiCl2, and Ph-SiCl3 inserted F2Ge to give Ph3SiGeF2Cl, Ph2Si(GeF2Cl)2, andPhSi(GeF2Cl)3, resp. A 95:5% mixture of the diastereomers of 2-chloro-5-methyl-2-phenyl-l-oxa-2-germacyclopentane inserted di-fluorogermylene stereospecifically to give a 95:5% mixture of the diastereomers of oxadigermacyclohexane I. Butadiene added methoxyfluorogermylene to give 1-fluoro-1-methoxy-2,3-di-methylgermacyclopent-3-ene (II).

Comptes Rendus des Seances de l’Academie des Sciences, Serie C: Sciences Chimiques published new progress about 312-40-3. 312-40-3 belongs to catalysis-chemistry, auxiliary class Organic Silicones, name is Difluorodiphenylsilane, and the molecular formula is C12H10F2Si, Application In Synthesis of 312-40-3.

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

Aprile, Silvio published the artcile1,2,4-Oxadiazole-Bearing Pyrazoles as Metabolically Stable Modulators of Store-Operated Calcium Entry, Application of 4-Nitrophenylacetic acid, the publication is ACS Medicinal Chemistry Letters (2021), 12(4), 640-646, database is CAplus and MEDLINE.

Store-operated calcium entry (SOCE) is a pivotal mechanism in calcium homeostasis, and, despite still being under investigation, its dysregulation is known to be associated with severe human disorders. SOCE modulators are therefore needed both as chem. probes and as therapeutic agents. While many small mols. have been described so far, their poor properties in terms of drug-likeness have limited their translation into the clin. practice. In this work, we describe the bioisosteric replacement of the ester moiety in pyrazole derivatives with a 1,2,4-oxadiazole ring as a means to afford a class of modulators with high metabolic stability. Moreover, among our derivatives, a compound able to increase the calcium entry was identified, further enriching the library of available SOCE activators.

ACS Medicinal Chemistry Letters 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 C8H7NO4, Application of 4-Nitrophenylacetic acid.

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

Bock, Hans published the artcileRadical ions. 89. One-electron oxidation of diaryl disulfides with aluminum trichloride/dichloromethane, SDS of cas: 77189-99-2, the publication is Phosphorus, Sulfur and Silicon and the Related Elements (1992), 68(1-4), 261-91, database is CAplus.

The single-electron oxidation of 14 alkyl and alkoxy-substituted diaryl disulfides by AlCl₃/H₂CCl₂ has been investigated by ESR/ENDOR spectroscopy. The radical cations observed prove the following skeletal rearrangements: those with ring hydrogens in ortho positions to the disulfide bridge preferentially form thianthrene derivatives The isomeric dinaphthyl disulfides react differently, the 2,2′-isomer yielding the dibenzothianthrene radical cation and the 1,1′-isomer the well-known naphthalene-1,8-disulfide radical cation. For all diaryl disulfides with completely alkyl- or methoxy-blocked ortho positions, oxidative desulfuration is observed As substantiated by addnl. ²D and ³³S isotope marking, bis(3,5-dimethoxyphenyl) disulfide gives both the thianthrene derivative and, by desulfuration, the radical cation of the monosulfide. Accompanying cyclic voltammetric and photoelectron spectroscopic measurements prove that all ESR spectroscopically detected radical cations result from compounds Ar-S-Ar, Ar-SS-Ar and Ar(S)₂Ar with rather low oxidation or ionization potentials and thus suggest that the most easily oxidized paramagnetic species is observed in the rather complex product mixtures

Phosphorus, Sulfur and Silicon and the Related Elements published new progress about 77189-99-2. 77189-99-2 belongs to catalysis-chemistry, auxiliary class Thiophenol,Benzene,Ether, name is 2,4,6-Trimethoxybenzenethiol, and the molecular formula is C9H12O3S, SDS of cas: 77189-99-2.

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