Tag: 100-200

Sequential Silylcarbocyclization/Silicon-Based Cross-Coupling Reactions was written by Denmark, Scott E.;Liu, Jack Hung-Chang. And the article was included in Journal of the American Chemical Society in 2007.Formula: C10H14O4 This article mentions the following:

A sequential rhodium-catalyzed silylcarbocyclization of enynes parlayed with a palladium-catalyzed, silicon-based cross-coupling reaction has been developed for the synthesis of highly substituted cyclopentanes. 1,6-Enynes reacted with benzyldimethylsilane in the presence of rhodium catalysts to afford five-membered rings bearing a (Z)-alkylidenylbenzylsilyl group. A variety of substitution patterns and heteroatom substituents were compatible. The silylcarbocyclization in which an unsaturated ester participated was also achieved. The resulting alkylidenylsilanes underwent palladium-catalyzed cross-coupling using tetra-n-butylammonium fluoride. This cross-coupling reaction displayed a broad substrate scope. A wide variety of substitution patterns, electronic properties, and heteroatoms were compatible. All of the cross-coupling reactions proceeded in high yields under very mild conditions and with complete retention of double bond configuration, resulting in densely functionalized 3-(Z)-benzylidenecyclopentanes and heterocycles. In the experiment, the researchers used many compounds, for example, Diethyl 2-(prop-2-yn-1-yl)malonate (cas: 17920-23-9Formula: C10H14O4).

Diethyl 2-(prop-2-yn-1-yl)malonate (cas: 17920-23-9) belongs to esters. Esters are also usually derived from carboxylic acids. It may also be obtained by reaction of acid anhydride or acid halides with alcohols or by the reaction of salts of carboxylic acids with alkyl halides. Esterification is the general name for a chemical reaction in which two reactants (typically an alcohol and an acid) form an ester as the reaction product. Esters are common in organic chemistry and biological materials.Formula: C10H14O4

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Catalytic Enantioselective Synthesis of γ-Lactams with β-Quaternary Centers via Merging of C-C Activation and Sulfonyl Radical Migration was written by Yu, Xuan;Zhang, Zining;Dong, Guangbin. And the article was included in Journal of the American Chemical Society in 2022.Recommanded Product: 98231-07-3 This article mentions the following:

To expand the repertoire of C-C activation, here the discovery of a Rh-catalyzed enantioselective C-C activation involving migration of a sulfonyl radical were described. This reaction directly transforms cyclobutanones containing a sulfonamide-tethered 1,3-diene moiety into γ-lactams containing a β-quaternary center with excellent enantioselectivity. This unusual process involved cleavage of C-C and N-S bonds and subsequent formation of C-N and C-S bonds. The reaction also exhibited broad functional group tolerance and a good substrate scope. A combined exptl. and computational mechanistic study suggested that the reaction goes through a Rh(I)-mediated oxidative addition into the cyclobutanone C-C bond followed by a Rh(III)-triggered N-S bond homolysis and sulfonyl radical migration. In the experiment, the researchers used many compounds, for example, Methyl 3,3-dimethoxycyclobutanecarboxylate (cas: 98231-07-3Recommanded Product: 98231-07-3).

Methyl 3,3-dimethoxycyclobutanecarboxylate (cas: 98231-07-3) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits, including apples, durians, pears, bananas, pineapples, and strawberries. Many esters have the potential for conformational isomerism, but they tend to adopt an s-cis (or Z) conformation rather than the s-trans (or E) alternative, due to a combination of hyperconjugation and dipole minimization effects. The preference for the Z conformation is influenced by the nature of the substituents and solvent, if present. Lactones with small rings are restricted to the s-trans (i.e. E) conformation due to their cyclic structure.Recommanded Product: 98231-07-3

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Synthesis and characterization of 2-oxo-3-aryl-succinates was written by Wang, Yajun. And the article was included in Huaxue Yanjiu Yu Yingyong in 2009.Recommanded Product: 587-88-2 This article mentions the following:

Nine new 2-oxo-3-aryl-succinates I (R¹ = EtO, R² = 2-F, 4-F, 2-Cl, 4-Cl, 4-Br, 2-CF₃; R¹ = MeO, R² = 4-Br; R¹ = BnO, R² = H, 2-Cl) were synthesized by condensation reaction between RCH₂COOC₂H₅ and di-Et oxalate under mild reaction conditions in a high yield, and their structures were confirmed by IR and ¹H NMR. In the experiment, the researchers used many compounds, for example, Ethyl 2-(4-fluorophenyl)acetate (cas: 587-88-2Recommanded Product: 587-88-2).

Ethyl 2-(4-fluorophenyl)acetate (cas: 587-88-2) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits, including apples, durians, pears, bananas, pineapples, and strawberries. Esterification is the general name for a chemical reaction in which two reactants (typically an alcohol and an acid) form an ester as the reaction product. Esters are common in organic chemistry and biological materials.Recommanded Product: 587-88-2

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Characterisation of aroma profile and evaluation of aroma quality in sweet cream butter was written by Tamura, Hirotoshi;Ueno, Shoko;Naka, Azusa;Zhao, Huajie;Yonekura, Lina;Isogai, Tomoyuki;Wakui, Ryota;Shiota, Makoto. And the article was included in International Dairy Journal in 2021.Electric Literature of C6H12O2 This article mentions the following:

The objective of this study was to determine which volatile compounds are responsible for the aroma of fresh sweet cream butter, using a liquid-liquid extraction method coupled with a Porapak Q column and limited odor units (Lod) as tech. methods. Sixty-four compounds were quant. identified. Assessors determined 100 ppm as the critical concentration for good aroma. Individual Lod100 were calculated at 100 ppm of the extracted oil using each compound’s thresholds and then twenty-three chems. such as δ-dodecalactone, δ-decalactone, γ-decalactone, acetaldehyde, and decanoic acid were selected as the potent aroma compounds in terms of Lod100 values greater than one. In the experiment, the researchers used many compounds, for example, Methyl2-methylbutyrate (cas: 868-57-5Electric Literature of C6H12O2).

Methyl2-methylbutyrate (cas: 868-57-5) belongs to esters. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. Liquid esters of low volatility serve as softening agents for resins and plastics. Esters also include many industrially important polymers. Polymethyl methacrylate is a glass substitute sold under the names Lucite and Plexiglas; polyethylene terephthalate is used as a film (Mylar) and as textile fibres sold as Terylene, Fortrel, and Dacron.Electric Literature of C6H12O2

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Reactions of ethyl cinnamates with arylacetamides was written by Shandala, Mowafak Y.;Al-Khashab, Abdul-Ilah Y.;Afzal, M.;Ahmad, Shakir S.. And the article was included in Journal of Heterocyclic Chemistry in 1980.COA of Formula: C10H11FO2 This article mentions the following:

Treating 4-RC₆H₄CH:CHCO₂Et (I; R = H, Cl, Me) with R¹C₆H₄CH₂CONH₂ (II; R¹ = H, 2-, 3-, 4-F, 3-Cl) gave the corresponding 2,6-diketo-3,4-diarylpiperidine III in addition to the corresponding 4-RC₆H₄CH:CHCONH₂ and R¹C₆H₄CH₂CO₂Et. The latter two are formed from the intermediates of the Claisen condensation of the reactants. Condensation of I (R = MeO) with II gave only p-methoxycinnamide in quant yields with the corresponding arylacetates. In the experiment, the researchers used many compounds, for example, Ethyl 2-(4-fluorophenyl)acetate (cas: 587-88-2COA of Formula: C10H11FO2).

Ethyl 2-(4-fluorophenyl)acetate (cas: 587-88-2) belongs to esters. Esters typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones. Acyl chlorides and acid anhydrides alcoholysis is another way to produce esters. Acyl chlorides and acid anhydrides react with alcohols to produce esters. Anydrous conditions are recommended since both acyl chlorides and acid anhydrides react with water.COA of Formula: C10H11FO2

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Sodium bisulfite addition compounds of benzyl isothiocyanates: evidence for their structure as sodium benzylaminothiomethanesulfonates was written by Sankaran, L.;Rao, P. L. Narasimha. And the article was included in Indian Journal of Chemistry in 1977.Electric Literature of C8H6FNS This article mentions the following:

Na bisulfite addition compounds (I) of several 2-, 4-, 2,4- and 3,4-halogen substituted benzyl isothiocyanates were prepared by refluxing the isothiocyanates with Na2S2O5 in 60-75% aqueous ethanol. I are colorless microcrystalline powders, infusible, stable in the dry state and in aqueous solutions at neutral and acidic pH in the absence of air. I decomposed rapidly to benzyl thiocarbamates and sulfite in alk. solutions and to carbylamines by neutral KMnO4. Based on their UV and IR spectra, the structure of I is assigned as RNHCSSO3Na (R = R1C6H4CH2 or R12C6H3CH2, R1 = Br, Cl, F). In the experiment, the researchers used many compounds, for example, 4-Fluorobenzylisothiocyanate (cas: 2740-88-7Electric Literature of C8H6FNS).

4-Fluorobenzylisothiocyanate (cas: 2740-88-7) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits, including apples, durians, pears, bananas, pineapples, and strawberries. Esters contain a carbonyl center, which gives rise to 120° C–C–O and O–C–O angles. Unlike amides, esters are structurally flexible functional groups because rotation about the C–O–C bonds has a low barrier. Their flexibility and low polarity is manifested in their physical properties; they tend to be less rigid (lower melting point) and more volatile (lower boiling point) than the corresponding amides. Electric Literature of C8H6FNS

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Catalyst-free reductive hydrogenation or deuteration of aryl-heteroatom bonds induced by light was written by Yan, Boyu;Zhou, Yutong;Wu, Jieliang;Ran, Maogang;Li, Huihui;Yao, Qiuli. And the article was included in Organic Chemistry Frontiers in 2021.Recommanded Product: 118-61-6 This article mentions the following:

A simple and catalyst-free photochem. strategy for the direct reduction of aryl trimethylammonium salts ArNMe₃OTf (Ar = biphenyl-4-yl, 2-naphthyl, quinolin-3-yl, etc.), aryl triflates Ar¹OTf (Ar¹ = biphenyl-3-yl, 1,6-dimethylpyridin-4-yl, benzothiazol-5-yl, etc.), and haloarenes Ar²X (Ar² = biphenyl-4-yl, 2-naphthyl, quinolin-4-yl, etc.; X = Cl, Br, I) to arenes ArH/Ar¹H or deuterium-labeled arenes ArD/Ar¹D/Ar²D was described. A broad range of substrate scope was demonstrated with high yields and deuterium incorporations. Radical clock experiments indicate the formation of aryl radical intermediates that can also be trapped by phenols. In the experiment, the researchers used many compounds, for example, Ethyl 2-hydroxybenzoate (cas: 118-61-6Recommanded Product: 118-61-6).

Ethyl 2-hydroxybenzoate (cas: 118-61-6) belongs to esters. Volatile esters with characteristic odours are used in synthetic flavours, perfumes, and cosmetics. Certain volatile esters are used as solvents for lacquers, paints, and varnishes. Liquid esters of low volatility serve as softening agents for resins and plastics. Esters also include many industrially important polymers. Polymethyl methacrylate is a glass substitute sold under the names Lucite and Plexiglas; polyethylene terephthalate is used as a film (Mylar) and as textile fibres sold as Terylene, Fortrel, and Dacron.Recommanded Product: 118-61-6

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Investigation of the Potential Environmental Risks of Phthalate Derivatives Designed To Be Environmentally Friendly was written by Zhang, Wenhui;Sun, Ruihao;Hou, Yilin;Qiu, Youli;Li, Yu. And the article was included in Environmental Toxicology and Chemistry in 2020.Recommanded Product: 118-61-6 This article mentions the following:

Phthalate derivatives with low estrogenic activity, high IR spectrum signals, high Raman characteristic vibration spectrum, high fluorescence intensity, and high UV sensitivity were selected as precursors from our previous studies, so that the changes in their toxicity and estrogenic activity during biol. metabolism, ozone oxidation, photocatalytic degradation, photodegradation, and microbial degradation could be studied. The transformation pathways of these derivatives were simulated, and the reaction energy barriers were calculated To determine the potential environmental risks of these phthalate derivatives, the pharmacophore models of biotoxicity and estrogen activity of phthalates were used to predict the biotoxicity and estrogen activity of the transformed products. The results showed an increase in the biotoxicity and estrogen activity of the biometabolites, ozonization products, photocatalytic degradation products, and microbial degradation products; the only products that did not follow this trend were the photodegradation products. Notably, the pathways that produced more potentially toxic compounds were the less favorable paths. Our results indicate that the transformation products of the designed environmentally friendly phthalate derivatives potentially pose environmental risks. To avoid such risks, the environmental transformation pathway of these derivatives should be simulated to screen for environmentally friendly phthalate mols. Environ Toxicol Chem 2020;00:1-11. © 2020 SETAC. In the experiment, the researchers used many compounds, for example, Ethyl 2-hydroxybenzoate (cas: 118-61-6Recommanded Product: 118-61-6).

Ethyl 2-hydroxybenzoate (cas: 118-61-6) belongs to esters. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. Acyl chlorides and acid anhydrides alcoholysis is another way to produce esters. Acyl chlorides and acid anhydrides react with alcohols to produce esters. Anydrous conditions are recommended since both acyl chlorides and acid anhydrides react with water.Recommanded Product: 118-61-6

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Design, synthesis and biological evaluation of pyridin-3-yl pyrimidines as potent Bcr-Abl inhibitors was written by Pan, Xiaoyan;Dong, Jinyun;Gao, Hongping;Wang, Fang;Zhang, Yanmin;Wang, Sicen;Zhang, Jie. And the article was included in Chemical Biology & Drug Design in 2014.Safety of Ethyl 3-amino-4-methylbenzoate This article mentions the following:

A series of pyridin-3-yl pyrimidines was synthesized and evaluated for their Bcr-Abl inhibitory and anticancer activity. The preliminary results indicated that some compounds were promising anticancer agents. Compounds I [R = 3-CF₃, 3,5-(CF₃)₂, 3-Br-5-CF₃] exhibited potent Bcr-Abl inhibitory activity, suggesting that aniline containing halogen substituents might be important for biol. activity. Mol. docking was carried out to investigate the binding mode of them with Bcr-Abl. Details of synthesis and SAR studies of these compounds are described. In the experiment, the researchers used many compounds, for example, Ethyl 3-amino-4-methylbenzoate (cas: 41191-92-8Safety of Ethyl 3-amino-4-methylbenzoate).

Ethyl 3-amino-4-methylbenzoate (cas: 41191-92-8) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits. Liquid esters of low volatility serve as softening agents for resins and plastics. Esters also include many industrially important polymers. Polymethyl methacrylate is a glass substitute sold under the names Lucite and Plexiglas; polyethylene terephthalate is used as a film (Mylar) and as textile fibres sold as Terylene, Fortrel, and Dacron.Safety of Ethyl 3-amino-4-methylbenzoate

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

A Sweet Origin for the Key Congocidine Precursor 4-Acetamidopyrrole-2-carboxylate was written by Lautru, Sylvie;Song, Lijiang;Demange, Luc;Lombes, Thomas;Galons, Herve;Challis, Gregory L.;Pernodet, Jean-Luc. And the article was included in Angewandte Chemie, International Edition in 2012.Category: esters-buliding-blocks This article mentions the following:

The 4-acetamidopyrrole-2-carboxylate is reported to be the true precursor of congocidine in Streptomyces. A biosynthetic pathway is proposed starting with N-acetylglucosamine-1-phosphate, involves carbohydrate metabolizing enzymes and differs from known pyrrole biosynthetic pathways. In the experiment, the researchers used many compounds, for example, Ethyl 4-nitro-1H-pyrrole-2-carboxylate (cas: 5930-92-7Category: esters-buliding-blocks).

Ethyl 4-nitro-1H-pyrrole-2-carboxylate (cas: 5930-92-7) belongs to esters. Esters typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones. Because of their lack of hydrogen-bond-donating ability, esters do not self-associate. Consequently, esters are more volatile than carboxylic acids of similar molecular weight.Category: esters-buliding-blocks

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics