Month: February 2023

Use of enzymes for pellicular maceration of white grapes was written by Mazza, Giacomo;Marchi, Dora;Cascio, Patrizia;Manassero, Paola. And the article was included in Vignevini in 2004.Application In Synthesis of Ethyl 2-hydroxy-3-phenylpropanoate This article mentions the following:

White grapes of the Sauvignon and Muscat varieties were treated with different com. enzymes. The effect of enzyme addition on aromatic fraction was studied. Musts obtained after treatment with specific enzymes for pellicular maceration (Extrazina DC), showed the best organoleptic quality. The terpene fraction in the Muscat must increased considerably; in particular, higher levels of linalool, nerol and geraniol were found. In the experiment, the researchers used many compounds, for example, Ethyl 2-hydroxy-3-phenylpropanoate (cas: 15399-05-0Application In Synthesis of Ethyl 2-hydroxy-3-phenylpropanoate).

Ethyl 2-hydroxy-3-phenylpropanoate (cas: 15399-05-0) 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. 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.Application In Synthesis of Ethyl 2-hydroxy-3-phenylpropanoate

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

Dithioesters: simple, tunable, cysteine-selective H₂S donors was written by Cerda, Matthew M.;Newton, Turner D.;Zhao, Yu;Collins, Brylee K.;Hendon, Christopher H.;Pluth, Michael D.. And the article was included in Chemical Science in 2019.Electric Literature of C14H12S2 This article mentions the following:

Dithioesters have a rich history in polymer chem. for RAFT polymerizations and are readily accessible through different synthetic methods. Here we demonstrate that the dithioester functional group is a tunable motif that releases H₂S upon reaction with cysteine and that structural and electronic modifications enable the rate of cysteine-mediated H₂S release to be modified. In addition, we use (bis)phenyl dithioester to carry out kinetic and mechanistic investigations, which demonstrate that the initial attack by cysteine is the rate-limiting step of the reaction. These insights are further supported by complementary DFT calculations We anticipate that the results from these investigations will allow for the further development of dithioesters as important chem. motifs for studying H₂S chem. biol. In the experiment, the researchers used many compounds, for example, Benzyl benzodithioate (cas: 27249-90-7Electric Literature of C14H12S2).

Benzyl benzodithioate (cas: 27249-90-7) belongs to esters. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. 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 C14H12S2

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

QSAR analysis of the partitioning of terpenes and terpenoids into human milk was written by Agatonovic-Kustrin, Snezana;Gegechkori, Vladimir I.;Morton, David W.. And the article was included in Flavour and Fragrance Journal in 2022.SDS of cas: 105-87-3 This article mentions the following:

Studies have shown that olfactory experience during breastfeeding plays an important role in the later development of certain food preferences in life. Thus, the aim of this study was to predict partitioning of odorous terpenes and terpenoids into breast milk from a predictive QSAR model for drug transfer. A large heterogenous data set based on drugs and their active metabolites that were used to build a QSAR was collected from the literature. Due to the vast structural diversity of these compounds and possibly different mechanisms involved in M/P partitioning, a non-linear artificial neural network (ANN) model was used to develop a predictive QSAR model. The value of the correlation coefficient of predicted vs. exptl. measured M/P values for the final model (14-2-1) was high (R = .82). The descriptors selected in the final model (14-2-1) belong to 3 main categories: (a) solubility/permeability descriptors (dipole moment, polar surface area, aromatic ring count and hydroxyl group count), (b) reactivity descriptors (i.e. HOMO energy) and (c) shape descriptors (different ring size counts, counts of Me groups and mol. depth). Results of this study predict that many volatile terpenes from the essential oils are transferred into breast milk selectively. The highest M/P values (>3.5) were predicted for β-caryophyllene, aromadendrene, alloaromadendrene, and 1,4- and 1,8-cineole, high values for carvacrol (M/P = 3.2), eugenol (M/P = 3.0) and thymol (M/P = 3.6), and moderate values for α-pinene (M/P = 2.3) and low values (M/P = 0.4) for phellandrene and limonene. Our model helps to explain and expand on the current knowledge of volatile compounds in breast milk by predicting that a variety of volatile terpenoids can be found in breast milk. In the experiment, the researchers used many compounds, for example, (E)-3,7-Dimethylocta-2,6-dien-1-yl acetate (cas: 105-87-3SDS of cas: 105-87-3).

(E)-3,7-Dimethylocta-2,6-dien-1-yl acetate (cas: 105-87-3) 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.SDS of cas: 105-87-3

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

Simultaneous Determination of Methyl Nicotinate and Three Salicylic Acid Derivatives in Pain Relief Spray Using HPLC-DAD was written by Ali, Hazim M.. And the article was included in Separations in 2022.Electric Literature of C9H10O3 This article mentions the following:

For the first time, the high-performance liquid chromatog.-diode array detector (HPLC-DAD) approach was operated for the simultaneous assessment of Me nicotinate (MN), Me salicylate (MS), Et salicylate (ES) and 2-hydroxyethyl salicylate (HES) in one pharmaceutical formulation. The limits of detection of MN, HES, MS and ES were found to be 0.0144, 0.0455, 0.0087 and 0.0061μg/mL. The recovery percentages and relative standard deviations ranged from 93.48 to 102.12% and 0.301 to 6.341% for all active ingredients. Accordingly, the previously described data demonstrate the sensitivity, accuracy and precision of the developed method. Therefore, the investigated approach was effectively applied for the simultaneous assessment of MN, HES, MS and ES in DEEP HEAT Spray. In the experiment, the researchers used many compounds, for example, Ethyl 2-hydroxybenzoate (cas: 118-61-6Electric Literature of C9H10O3).

Ethyl 2-hydroxybenzoate (cas: 118-61-6) belongs to esters. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. 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 C9H10O3

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

Palladium-catalyzed cross-coupling of sterically demanding boronic acids with α-bromocarbonyl compounds was written by Zimmermann, Bettina;Dzik, Wojciech I.;Himmler, Thomas;Goossen, Lukas J.. And the article was included in Journal of Organic Chemistry in 2011.Application In Synthesis of Ethyl 2-(4-fluorophenyl)acetate This article mentions the following:

A catalyst system generated in situ from Pd(dba)₂ and tri(o-tolyl)phosphine mediates the coupling of arylboronic acids with alkyl α-bromoacetates under formation of arylacetic acid esters at unprecedented low loadings. The new protocol, which involves potassium fluoride as the base and catalytic amounts of benzyltriethylammonium bromide as a phase transfer catalyst, is uniquely effective for the synthesis of sterically demanding arylacetic acid derivatives In the experiment, the researchers used many compounds, for example, Ethyl 2-(4-fluorophenyl)acetate (cas: 587-88-2Application In Synthesis of Ethyl 2-(4-fluorophenyl)acetate).

Ethyl 2-(4-fluorophenyl)acetate (cas: 587-88-2) 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.Application In Synthesis of Ethyl 2-(4-fluorophenyl)acetate

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

Cascade Wolff Rearrangement/Acylation: A Metal-Free and Eco-Friendly Approach for 4-Hydroxy-pyrazolo[3,4-b]pyridin-6-ones and N-Pyrazole Amides Synthesis from 5-Aminopyrazoles and α-Diazoketones was written by Zhang, Xiang-Jin;Zhang, Jie;Xu, Yu-Ning;Li, Yi-Ming;Chi, Man;Yan, Yu;Wu, Rui-Xue;Zhang, Hui-Ru;Zhu, Yan-Ping. And the article was included in Journal of Organic Chemistry in 2021.Name: Ethyl 3-oxo-3-(m-tolyl)propanoate This article mentions the following:

A highly chemoselective cascade Wolff rearrangement/acylation reaction between 5-aminopyrazoles and diazo compounds has been developed. The protocol can facilitate the switchable synthesis of 4-hydroxy-pyrazolo[3,4-b]pyridin-6-ones I (R¹ = Me, Et, Ph, etc.; R² = Ph, t-Bu, 2-naphthyl, etc.; R³ = Ph, 4-MeOC₆H₄, 3-thienyl, etc.) and N-pyrazole amides II (R¹ = Me, t-Bu, Ph; R² = Ph, 4-FC₆H₄, 2-naphthyl, etc.; R³ = Me, c-hexyl, Ph, etc.; R⁴ = Me, Et) with the merits of a broad substrate scope, high functional group compatibility, and green and sustainable performance manner. All reactions proceeded efficiently without any catalyst and additives (acid and base) and resulted in the release of benign N₂, wherein di-Et carbonate served as a green benign solvent. In the experiment, the researchers used many compounds, for example, Ethyl 3-oxo-3-(m-tolyl)propanoate (cas: 33166-79-9Name: Ethyl 3-oxo-3-(m-tolyl)propanoate).

Ethyl 3-oxo-3-(m-tolyl)propanoate (cas: 33166-79-9) 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. Esters are more polar than ethers but less polar than alcohols. They participate in hydrogen bonds as hydrogen-bond acceptors, but cannot act as hydrogen-bond donors, unlike their parent alcohols. This ability to participate in hydrogen bonding confers some water-solubility.Name: Ethyl 3-oxo-3-(m-tolyl)propanoate

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

Nickel-Catalyzed Benzylic Substitution of Benzyl Esters with Malonates as a Soft Carbon Nucleophile was written by Tsuji, Hiroaki;Hashimoto, Keisuke;Kawatsura, Motoi. And the article was included in Organic Letters in 2019.Product Details of 10203-58-4 This article mentions the following:

The nickel-catalyzed benzylic substitution of benzyl alc. derivatives with a soft carbon nucleophile is extremely rare compared to that with a hard carbon nucleophile. The nickel-catalyzed benzylic substitution of benzyl esters with malonates as a soft carbon nucleophile is achieved. Primary and secondary benzyl 2,3,4,5,6-pentafluorobenzoates as well as a wide variety of malonate derivatives were well tolerated in the nickel-catalyzed reaction, providing the corresponding alkylation products in 46-86% yields (34 examples). Addnl., a possible reaction mechanism that would underwent via the η¹– and η³-benzylnickel intermediates is proposed. In the experiment, the researchers used many compounds, for example, Diethyl isobutylmalonate (cas: 10203-58-4Product Details of 10203-58-4).

Diethyl isobutylmalonate (cas: 10203-58-4) 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.Product Details of 10203-58-4

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

Direct C-H Arylation of Heteroarenes with Copper Impregnated on Magnetite as a Reusable Catalyst: Evidence for CuO Nanoparticle Catalysis in Solution was written by Vasquez-Cespedes, Suhelen;Chepiga, Kathryn M.;Moeller, Nadja;Schaefer, Andreas H.;Glorius, Frank. And the article was included in ACS Catalysis in 2016.Category: esters-buliding-blocks This article mentions the following:

A reusable copper-based catalyst system was employed for the direct arylation of electron-rich heteroarenes. Under mild and operationally simple reaction conditions good yields and selectivities were obtained using diaryliodonium salts as coupling partners. A combination of exptl. methods including kinetic studies, filtration tests, and a series of anal. tools (TXRF, ICP-MS, SEM, XPS, TEM, EFTEM) provide evidence for catalytically active soluble nanoparticles formed from an amorphous heterogeneous precursor. Mechanistic studies hint at a redox-neutral process which promotes counterion dissociation from the diaryliodonium salt by a copper(II) oxide species. In the experiment, the researchers used many compounds, for example, Methyl 2-thienylacetate (cas: 19432-68-9Category: esters-buliding-blocks).

Methyl 2-thienylacetate (cas: 19432-68-9) belongs to esters. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. 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. Category: esters-buliding-blocks

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

β-(Trifluoromethyl)vinyl Sulfonium Salts: Preparation and Reactions with Active Methylene and Methenyl Compounds was written by Lin, Hao;Shen, Qilong;Lu, Long. And the article was included in Journal of Organic Chemistry in 2011.COA of Formula: C9H10O3S This article mentions the following:

Two trifluoromethyl-substituted building blocks β-(trifluoromethyl)vinyl sulfonium salts I and II were developed. Reactions of β-(trifluoromethyl)vinyl sulfonium salt I with active methylene compounds containing electron-withdrawing groups using DBU as the base in DMSO occurred to give trifluoromethyl-substituted cyclopropane derivatives, e.g., III, as the major products. In contrast, reactions of β-(trifluoromethyl)vinyl sulfonium salt II with active methylene compounds occurred with the migration of one of the electron-withdrawing groups to give the products, e.g., IV, as the major products when NaH was used as the base in DMSO. Moreover, when NaH was used as base in THF/CH₂Cl₂ at -78 °C, reaction of β-(trifluoromethyl)vinyl sulfonium salt I gave trifluoromethyl-substituted 2,3-dihydrofuran derivatives, e.g., V, as the major products. A working mechanism was proposed to explain the different behaviors of the β-(trifluoromethyl)vinyl sulfonium salts I or II with active methylene compounds under these different conditions. In the experiment, the researchers used many compounds, for example, Ethyl 3-oxo-3-(thiophen-2-yl)propanoate (cas: 13669-10-8COA of Formula: C9H10O3S).

Ethyl 3-oxo-3-(thiophen-2-yl)propanoate (cas: 13669-10-8) 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. Polyesters are important plastics, with monomers linked by ester moieties. 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.COA of Formula: C9H10O3S

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

Supplementation with Bifidobacterium breve BR03 and B632 strains improved insulin sensitivity in children and adolescents with obesity in a cross-over, randomized double-blind placebo-controlled trial was written by Solito, Arianna;Bozzi Cionci, Nicole;Calgaro, Matteo;Caputo, Marina;Vannini, Lucia;Hasballa, Iderina;Archero, Francesca;Giglione, Enza;Ricotti, Roberta;Walker, Gillian Elisabeth;Petri, Antonella;Agosti, Emanuela;Bellomo, Giorgio;Aimaretti, Gianluca;Bona, Gianni;Bellone, Simonetta;Amoruso, Angela;Pane, Marco;Di Gioia, Diana;Vitulo, Nicola;Prodam, Flavia. And the article was included in Clinical Nutrition in 2021.COA of Formula: C6H12O2 This article mentions the following:

Variations in gut microbiota might impact metabolism leading to body weight excess. We assessed the impact of a probiotic supplementation in pediatric obesity on weight, metabolic alterations, selected gut microbial groups, and functionality.Cross-over, double-blind, randomized control trial (BIFI-OBESE trial; NCT03261466). 101 youths (6-18 years, Tanner stage �) with obesity and insulin-resistance on diet were randomized to 2 x 109 CFU/AFU/day of Bifidobacterium breve BR03 (DSM 16604) and B. breve B632 (DSM 24706) (51) or placebo (50) for 8 wk with a 4-wk wash-out period.All subjects (M/F 54/47) completed the first 8 wk, and 82 (M/F 43/39) the last part without adverse events. Mixed-effects models revealed a carry-over effect on many variables in the entire study, narrowing the anal. to the first 8 wk before the wash-out periods. All subjects improved metabolic parameters, and decreased weight and Escherichia coli counts. Probiotics improved insulin sensitivity at fasting (QUICKI, 0.013 CI95%0.0-0.03) and during OGTT (ISI, 0.654 CI95%-0.11-1.41). Cytokines, GLP1, and target microbial counts did not vary. Of 25 SCFAs, acetic acid and acetic acid pentyl-ester relative abundance remained stable in the probiotics, while increased in the placebo (p < 0.02). A signature of five butanoic esters identified three clusters, one of them had better glucose responses during probiotics.An 8 wk treatment with B. breve BR03 and B632 had beneficial effects on insulin sensitivity in youths with obesity. Microbiota functionality could influence metabolic answers to probiotics. Long-term studies to confirm and enrich our findings are justified. In the experiment, the researchers used many compounds, for example, Methyl2-methylbutyrate (cas: 868-57-5COA of Formula: C6H12O2).

Methyl2-methylbutyrate (cas: 868-57-5) 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. 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.COA of Formula: C6H12O2

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