Month: December 2022

Nagasawa, Kinzo published the artcileReductive cleavage of sulfur-containing carbamates with Raney nickel, Application of Benzyl diethylcarbamodithioate, the publication is Chemical & Pharmaceutical Bulletin (1975), 23(10), 2454-8, database is CAplus.

The reductive cleavage of Et2NC(O)SCH2C6H4Cl-4 gave HCONEt2, PhMe, and HCl; PhMe and Et2NMe were obtained from Et2NCS2CH2Ph. The reaction of PhNHC(S)OMe in EtOH gave N-ethyl-N-methylcyclohexylamine, N-ethylcyclohexylamine, and N,N-diethylcyclohexylamine.

Chemical & Pharmaceutical Bulletin published new progress about 3052-61-7. 3052-61-7 belongs to esters-buliding-blocks, auxiliary class Amine,Benzene,Amide, name is Benzyl diethylcarbamodithioate, and the molecular formula is C12H17NS2, Application of Benzyl diethylcarbamodithioate.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Mascellani, Anna published the artcile¹H NMR chemometric models for classification of Czech wine type and variety, SDS of cas: 121-79-9, the publication is Food Chemistry (2021), 127852, database is CAplus and MEDLINE.

A set of 917 wines of Czech origin were analyzed using NMR spectroscopy (NMR) with the aim of building and evaluating multivariate statistical models and machine learning methods for the classification of 6 types based on color and residual sugar content, 13 wine grape varieties and 4 locations based on 1H NMR spectra. The predictive models afforded greater than 93% correctness for classifying dry and medium dry, medium, and sweet white wines and dry red wines. The trained Random Forest (RF) model classified Pinot noir with 96% correctness, Blaufrankisch 96%, Riesling 92%, Cabernet Sauvignon 77%, Chardonnay 76%, Gewurtztraminer 60%, Hibernal 60%, Gruner Veltliner 52%, Pinot gris 48%, Sauvignon Blanc 45%, and Palava 40%. Pinot blanc and Chardonnay, varieties that are often mistakenly interchanged, were discriminated with 71% correctness. The findings support chemometrics as a tool for predicting important features in wine, particularly for quality assessment and fraud detection.

Food Chemistry published new progress about 121-79-9. 121-79-9 belongs to esters-buliding-blocks, auxiliary class Natural product, name is Propyl 3,4,5-trihydroxybenzoate, and the molecular formula is C10H12O5, SDS of cas: 121-79-9.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Kurabayashi, Hideaki published the artcileThe Mizoroki-Heck reaction in mesoionic 1-butyl-3-methyltetrazolium-5-olate, Category: esters-buliding-blocks, the publication is Tetrahedron (2021), 132450, database is CAplus.

The 1-butyl-3-methyltetrazolium-5-olate, a mesoionic compound, exists as a liquid at room temperature and can be used as a polar solvent for the Mizoroki-Heck reaction, wherein it has been proven to be a superior solvent to other solvents. The reaction of iodobenzene with Et acrylate in the presence of palladium acetate in mesoionic liquid 1-butyl-3-methyltetrazolium-5-olate at 40°C for 24 h gave Et cinnamate in 78% yield in the absence of ligands, while the use of other solvents, such as [bmim][BF₄], [bmim][PF₆], and DMF gave lower yields (43%, 37%, and 17%, resp.) under the same conditions. Heck-type coupling reactions of electron-deficient or electron-rich aryl iodides RC₆H₄I (R = H, 2-Me, 3-NO₂, 4-OMe, etc.) and bromobenzene with olefins such as Et acrylate, styrene, acrylonitrile, etc. (15 examples, 7%-97%) were performed in 1-butyl-3-methyltetrazolium-5-olate. When a phosphine ligand was added to the reaction mixture, aryl bromides could be used, and the mesoionic liquid containing the catalysts could be reused at least five times.

Tetrahedron published new progress about 103-26-4. 103-26-4 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Benzene,Ester,Protease,Tyrosinase,Natural product, name is Methyl 3-phenyl-2-propenoate, and the molecular formula is C10H10O2, Category: esters-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Hammoud, Fatima published the artcileChemical engineering around the 5,12-dihydroindolo[3,2-a]carbazole scaffold: Fine tuning of the optical properties of visible light photoinitiators of polymerization, Recommanded Product: Ethyl 4-dimethylaminobenzoate, the publication is European Polymer Journal (2022), 111218, database is CAplus.

5,12-Dihydroindolo[3,2-a]carbazole is a promising scaffold for the design of visible light photoinitiators of polymerization due to the simultaneous presence of two carbazole moieties that can be differently functionalized. Notably, red shift of the absorption spectra can be facilely obtained by nitration of one of the two carbazoles, the second carbazole group being functionalized with various groups. Dinitration of 5,12-dihydroindolo[3,2-a]carbazole is another efficient approach for designing dyes with strong absorptions extending over the visible range. In this work, a series of 36 compounds never reported in the literature and differing by the substitution pattern have been designed and synthesized. Notably, the possibility to design push-pull dyes by Knoevenagel and Claisen Schmidt reactions, to introduce electroactive groups such as thiophene by Suzuki cross-coupling reactions or to design water soluble chromophore has been explored. To evidence the interest of these structures, photopolymerization experiments have been carried out at 405 nm and the polymerization of acrylates has been examined in thick and thin films. To support the polymerization efficiency, mechanisms involved in the free radical polymerization of acrylates have been established by the combination of various techniques including UV-visible absorption and fluorescence spectroscopy, cyclic voltammetry and photolysis experiments

European Polymer Journal published new progress about 10287-53-3. 10287-53-3 belongs to esters-buliding-blocks, auxiliary class Amine,Benzene,Ester, name is Ethyl 4-dimethylaminobenzoate, and the molecular formula is C11H15NO2, Recommanded Product: Ethyl 4-dimethylaminobenzoate.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Coxon, James M. published the artcilePhotolysis of some β,γ-epoxycarbonyl compounds, Computed Properties of 5205-11-8, the publication is Australian Journal of Chemistry (1977), 30(1), 161-71, database is CAplus.

Photolysis of (3RS)-3,4-epoxy-1-phenylbutan-1-one gives in high yield a 1:7:1 mixture of (1RS,2RS,3RS)- and (1RS,2SR,3SR)-2,3-epoxy-1-phenylcyclobutan-1-ols (I and II). Fragmentation of the intermediate biradical is not a competitive reaction process. Alkyl substitution at C2 facilitates α-cleavage; oxiranyl benzoate (III) is unreactive under normal photolysis conditions.

Australian Journal of Chemistry published new progress about 5205-11-8. 5205-11-8 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Benzene,Ester, name is 3-Methylbut-2-en-1-yl benzoate, and the molecular formula is C12H14O2, Computed Properties of 5205-11-8.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Fleming, Ian published the artcileA regioselective and stereospecific synthesis of allylsilanes from secondary allylic alcohol derivatives, COA of Formula: C12H14O2, the publication is Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) (1992), 3331-49, database is CAplus.

Primary and secondary allylic acetates and benzoates react with the dimethyl(phenyl)silylcuprate reagent to give allylsilanes, provided that the THF in which the cuprate is prepared is diluted with ether before addition of the allylic ester. The reaction is reasonably regioselective in some cases: (i) when the allylic system is more-substituted at one end than the other, e.g., as in the reaction of Me₂C:CHCH₂OC(O)Ph → Me₂C:CHCH₂SiMe₂Ph; (ii) when the steric hinderance at one end is neopentyl-like, as in the reactions I (R = Me, Ph, CHMe₂, n = 1, 2) → II; and (iii) when the disubstituted double bond has the Z configuration, as in the reactions Z-PhCH:CHCHMeOAc → PhCH(SiMe₂Ph)CH:CHMe or, better, because the silyl group is becoming attached to the less-sterically hindered end of the allylic system. The regioselectivity is better if a Ph carbamate is used in place of the ester, and a three-step protocol assembling the mixed cuprate on the leaving group is used, or, best of all, because the silyl group is again becoming attached to the less-sterically hindered end of the allylic system. This sequence works well to move the silyl group onto the more substituted end of an allyl system, but only when the move is from a secondary allylic carbamate to a tertiary allylsilane. Allyl(trimethyl)silanes can be made using alkyl- or arylcuprates on trimethylsilyl-containing allylic esters and carbamates. The reaction of the silylcuprate with allylic esters and the three-step sequence with the allylic carbamates are stereochem. complementary, the former being stereospecifically anti and the latter stereospecifically syn. Homochiral allylsilanes can be made by these methods with high levels of stereospecificity.

Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) published new progress about 5205-11-8. 5205-11-8 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Benzene,Ester, name is 3-Methylbut-2-en-1-yl benzoate, and the molecular formula is C12H14O2, COA of Formula: C12H14O2.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Toral, P. G. published the artcileEffect of lipid supplementation on the endogenous synthesis of milk cis-9,trans-11 conjugated linoleic acid in dairy sheep and goats: A tracer assay with 13c-vaccenic acid, Related Products of esters-buliding-blocks, the publication is Journal of Dairy Science (2022), 105(1), 255-268, database is CAplus and MEDLINE.

A major proportion of milk rumenic acid (RA; cis-9,trans-11 CLA) is synthesized through mammary Δ9-desaturation of vaccenic acid (VA; trans-11 18:1). Diet composition may determine the relative contribution of this endogenous synthesis to milk RA content, with effects that might differ between ruminant species. However, this hypothesis is mostly based on estimated values, proxies of stearoyl-CoA desaturase (SCD) activity, and indirect comparisons between publications in the literature. With the aim of providing new insights into this issue, in vivo Δ9-desaturation of 13C-labeled VA (measured via milk 13C-VA and -RA secretion) was directly compared in sheep and goats fed a diet without lipid supplementation or including 2% of linseed oil. Four Assaf sheep and 4 Murciano-Granadina goats were used in a replicated 2 x 2 crossover design to test the effects of the 2 dietary treatments during 2 consecutive 25-d periods. On d 22 of each period, 500 mg of 13C-VA were i.v. injected to each animal. Dairy performance, milk fatty acid profile, including isotope anal., and mammary mRNA abundance of genes coding for SCD were examined on d 21 to 25 of each period. Supplementation with linseed oil improved milk fat concentration and increased the content of milk VA and RA. However, the isotopic tracer assay suggested no variation in the relative proportion of VA desatd. to milk RA, and the percentage of this CLA isomer deriving from SCD activity would remain constant regardless of dietary treatment. These results put into question a major effect of lipid supplementation on the endogenous synthesis of milk RA and support that mammary Δ9-desaturation capacity would not represent a limiting factor when designing feeding strategies to increase milk RA content. The lack of diet-induced effects was common to caprines and ovines, but inherent interspecies differences in mammary lipogenesis were found. Thus, the higher proportions of VA desaturation and endogenous synthesis of milk RA in sheep supported a greater SCD activity compared with goats, a finding that was not associated with the similar mRNA abundance of SCD1 in the 2 species. On the other hand, transfer efficiency of the isotopic tracer to milk was 37% higher in caprine than in ovine, suggesting a greater efficiency in mammary fatty acid uptake from plasma in caprine.

Journal of Dairy Science published new progress about 121-79-9. 121-79-9 belongs to esters-buliding-blocks, auxiliary class Natural product, name is Propyl 3,4,5-trihydroxybenzoate, and the molecular formula is C11H15NO2, Related Products of esters-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Lopez-Velazquez, Delia published the artcileStructure and Phase Transitions of Ethyl-4′-n-undecyloxybiphenyl-4-carboxylate and Its Acid Derivative, SDS of cas: 50670-76-3, the publication is Molecular Crystals and Liquid Crystals (2008), 222-236, database is CAplus.

Ethyl-4′-n-undecyloxybiphenyl-4-carboxylate, 2(11)OBC, and 4′-n-undecyloxybiphenyl-4-carboxylic acid, (11)OBC, are smectic liquid crystals precursors of low mol. weight premesogens, and of potential liquid crystal macromols. The single-crystal X-ray study of 2(11)OBC showed that it crystallizes in a non-centrosym. space group with mols. stacked along the short axis [010] and [001] without significant π···π or CH···π interactions. Such an arrangement may explain its strong tendency to form smectic mesophases. Both biphenyl derivatives have a rich polymesomorphism whose phase sequences were determined by DSC, optical microscopy and diffraction profiles using synchrotron radiation. These profiles indicated quite similar phase transitions in the two samples, although very different transition temperatures The phase transitions (on cooling) of 2(11)OBC are: Isotropic → SmA (101°) → SmB (88°) → SE (79°) → crystal phase (43°), while those (on cooling) of (11)OBC are the following: Isotropic → SmA (246°) → SmB (192°) → SX (162°) → SE (148°) → crystal phase (62°). The much higher transition temperatures for the acid derivative are explained by considering that this mol. forms dimers through classical O-H···O hydrogen bonds involving the carboxylic groups.

Molecular Crystals and Liquid Crystals published new progress about 50670-76-3. 50670-76-3 belongs to esters-buliding-blocks, auxiliary class Benzene,Phenol,Ester, name is Ethyl 4′-hydroxy-[1,1′-biphenyl]-4-carboxylate, and the molecular formula is C15H14O3, SDS of cas: 50670-76-3.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Byers, J. R. published the artcileIdentification of sex pheromones of Leucania anteoclara Sm. and Leucania commoides Gn. (Lepidoptera: Noctuidae: Hadeninae), Related Products of esters-buliding-blocks, the publication is Journal of Chemical Ecology (1997), 23(2), 473-485, database is CAplus.

The sex pheromone components of two species of Leucania that occur sympatrically in western Canada were identified in abdomen-tip extracts from calling female moths. (Z)-11-hexadecenyl acetate was the main component and (Z)-9-tetradecenyl acetate the second component in both species. The third component necessary for specific attractancy was (Z)-11-hexadecenyl aldehyde for L. anteoclara and (Z)-11-hexadecenyl alc. for L. commoides. The third component for each species was an attractant inhibitor when added as a fourth component to the attractant blend for the reciprocal species. The most effective synthetic blend for the attraction of males in the field was Z9-14:Ac/Z11-16:Ac/Z11-16:Ald in a ratio of 1:10:4 for L. anteoclara and Z9-14:Ac/Z11-16:Ac/Z11-16:OH in a ratio of 5:4:1 for L. commoides.

Journal of Chemical Ecology published new progress about 16974-11-1. 16974-11-1 belongs to esters-buliding-blocks, auxiliary class Aliphatic Chain, name is (Z)-Dodec-9-en-1-yl acetate, and the molecular formula is C14H26O2, Related Products of esters-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Lu, Zhichao published the artcileBase-Promoted Radical Azofluoromethylation of Unactivated Alkenes, Safety of 3-Methylbut-2-en-1-yl benzoate, the publication is Organic Letters (2020), 22(11), 4383-4388, database is CAplus and MEDLINE.

The base-induced reaction of aryl diazonium salts with com. available CF₃SO₂Na/CF₂HSO₂Na allows for the generation of the corresponding diazene radicals along with fluoromethyl radicals. The addition of fluoromethyl radicals to alkenes with subsequent diazene trapping provides the azofluoromethylation products in good to excellent yields. This metal-free method under mild reaction conditions has broad functional group compatibility and is applicable in the late-stage modification of various natural products and bioactive mols.

Organic Letters published new progress about 5205-11-8. 5205-11-8 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Benzene,Ester, name is 3-Methylbut-2-en-1-yl benzoate, and the molecular formula is C12H14O2, Safety of 3-Methylbut-2-en-1-yl benzoate.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics