Tag: 100-200

Category: esters-buliding-blocksIn 2021, Li, Fu-xiao;Li, Dong-long;Wang, Hui-yi;Li, Qiu-feng;Liu, Ji-dong published 《Analysis of volatile flavor compounds of γ-aminobutyric acid soybean paste》. 《Xiandai Shipin Keji》published the findings. The article contains the following contents:

To evaluate the flavor difference between com. soybean paste and γ-aminobutyric acid (GABA) bean paste, headspace solid-phase microextraction (HS-SPME) and gas chromatog.-mass spectrometry (GC-MS) were used to measure and analyze the volatile components and the common indexes in nine com. soybean paste samples (S1-S9) and the GABA soybean paste sample (S10) . The key volatile components were determined by principal component anal. (PCA) and odor activity value (OAV) . The results showed that 144 compounds in eight categories were detected in 10 soybean paste samples and the content of γ-aminobutyric acid in S10 reached 1.87 mg/g, the pH value was 4.69, and the color was bright without impurities. Among them, esters, alcs. and acids accounted for more than 60% of the total volatile components. Addnl., the results of PCA of 41 common volatile substances were identified in 10 soybean paste samples, demonstrating that 2-methyl-butyraldehyde, 3-methyl-butyraldehyde, dimethyl-trisulfide and guaiacol significantly contributed to the flavor formation of bean paste. Besides, the GABA soybean paste has a rich variety of flavors, in which the contents of 2-pentylfuran, 2-ethyl-6-methylpyrazine, guaiacol and di-Me trisulfide (which exhibited aromas of mung bean, nut and clove) were significantly higher than other samples. This could be the reason for some differences in flavor substances between GABA soybean paste and other samples. The results of this study could provide theor. reference for the development of functional soybean paste and the flavor improvement in soybean paste products. The experimental procedure involved many compounds, such as 1-Phenylethyl acetate (cas: 93-92-5) .

1-Phenylethyl acetate(cas:93-92-5) is a carboxylic ester. Category: esters-buliding-blocks It may be prepared by acetylation of methyl phenyl carbinol; from 1-bromoethylbenzene and silver acetate in acetic acid; from benzaldehyde by reacting with magnesium methyl bromide and subsequent acetylation.

Reference:
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Cetti, Jonathan;Eike, David;Ferrero Vallana, Federico M.;Gunaratne, H. Q. Nimal;Holland, Lynette A. M.;Puga, Alberto V.;Seddon, Kenneth R.;Todini, Oreste published 《Modeling the Vapor-Liquid Equilibria of Ionic Liquids Containing Perfume Raw Materials》 in 2017. The article was appeared in 《Journal of Chemical & Engineering Data》. They have made some progress in their research.Category: esters-buliding-blocks The article mentions the following:

In this work, the vapor-liquid equilibrium of binary and multinary systems comprise perfume raw materials and ionic liquids have been computed using two different models: COSMO-RS, a solvation model, and UNIFAC, a group contribution method. For systems already well-known in the literature, a comparison with exptl. data was performed, and good agreement was observed with both models. Although UNIFAC was not applicable to nonparametrized ionic liquids, COSMO-RS proved very reliable in predicting the vapor-liquid equilibrium of solutions of perfume raw materials in new-to-the-world ionic liquids This opens the door for the prediction and modeling of new formulations for novel consumer products, prior to embarking on detailed exptl. investigations. And Methyl 2,4-dihydroxy-3,6-dimethylbenzoate (cas: 4707-47-5) was used in the research process.

Methyl 2,4-dihydroxy-3,6-dimethylbenzoate(4707-47-5) is used in biological study as role of androgens in inducing distinct response of epithelial-mesenchymal transition factors in human prostate cancer cells.Category: esters-buliding-blocks

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Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Application In Synthesis of 1-Phenylethyl acetate《CO₂-expanded bio-based liquids as novel solvents for enantioselective biocatalysis》 was published in 2017. The authors were Hoang, Hai Nam;Nagashima, Yoshihiro;Mori, Shuichi;Kagechika, Hiroyuki;Matsuda, Tomoko, and the article was included in《Tetrahedron》. The author mentioned the following in the article:

For the first time, CO₂-expanded bio-based liquids were reported as novel and sustainable solvents for biocatalysis. Herein, it was found that by expansion with CO₂, 2-methyltetrahydrofuran (MeTHF), and other bio-based liquids, which were not favorable solvents for immobilized Candida antarctica lipase B (Novozym 435) catalyzed transesterification, were tuned into excellent reaction media. Especially, for the kinetic resolution of challenging bulky secondary substrates such as rac-1-adamantylethanol, the lipase displayed very high activity with excellent enantioselectivity (E value > 200) in CO₂-expanded MeTHF (MeTHF concentration 10% volume/volume, 6 MPa), whereas there was almost no activity observed in conventional organic solvents. To complete the study, the researchers used 1-Phenylethyl acetate (cas: 93-92-5) .

1-Phenylethyl acetate(cas:93-92-5) is a carboxylic ester. Application In Synthesis of 1-Phenylethyl acetate It may be prepared by acetylation of methyl phenyl carbinol; from benzaldehyde by reacting with magnesium methyl bromide and subsequent acetylation; from 1-bromoethylbenzene and silver acetate in acetic acid.

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

Deng, Yifan;Zou, Yike;Yang, Chia-Ping H.;Houk, K. N.;Smith, Amos B. III published 《Total Syntheses of (+)-Peniciketals A-B and (-)-Diocollettines A Exploiting a Photoisomerization/Cyclization Union Protocol》 in 2021. The article was appeared in 《Journal of Organic Chemistry》. They have made some progress in their research.Product Details of 4707-47-5 The article mentions the following:

A late-stage photoisomerization/cyclization union tactic, in conjunction with Type I Anion Relay Chem. (ARC), permits enantioselective total syntheses and then biol. evaluation of (+)-peniciketals A (I) and B (II). The photochem. protocol was further showcased by an efficient three-step construction of the architecturally complex polycyclic skeleton found in (-)-diocollettine A (III). The mechanism and diastereoselectivity of the photochem. protocol have also been explored by both experiment and d. functional theory calculations To complete the study, the researchers used Methyl 2,4-dihydroxy-3,6-dimethylbenzoate (cas: 4707-47-5) .

Methyl 2,4-dihydroxy-3,6-dimethylbenzoate(4707-47-5) is used in biological study as role of androgens in inducing distinct response of epithelial-mesenchymal transition factors in human prostate cancer cells.Product Details of 4707-47-5

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

Application of 93-92-5《The characterization of flavored hookahs aroma profile and in response to heating as analyzed via headspace solid-phase microextraction (SPME) and chemometrics》 was published in 2018. The authors were Farag, Mohamed A.;Elmassry, Moamen M.;El-Ahmady, Sherweit H., and the article was included in《Scientific Reports》. The author mentioned the following in the article:

Flavors profiling in flavored hookah tobacco is an issue of increasing scrutiny for the health sector owing to its adverse effects on humans, especially being heated to produce smoke. This study aims at tackling the components involved in the flavored hookah tobacco from a chem. and biol. point of view. Detecting individual flavor compounds, within a complex hookah tobacco matrix was accomplished using headspace solid phase microextraction (SPME). A total of 114 volatiles were identified in 13 flavored hookah tobacco products, with esters amounting for the major component up to 40%. Whereas oxygenated monoterpenes presented another major volatile class, contributing up to 23%, including (E)-anethole. Superheating flavored hookah tobacco at 190°C resulted in the release of a mixture of phenol derivatives and polycyclic aromatic compounds that are indicative of coal tar, a major component produced during hookah tobacco usage with potential health hazards. This study provides the first comprehensive volatile profile of hookah tobacco products from different origins identifying chem. components involved in flavors. It is expected to serve as informative grounds for the better understanding of hookah tobacco production and usage. The information presented is also expected to raise awareness on the health risks of hookah tobacco smoking. The experimental procedure involved many compounds, such as 1-Phenylethyl acetate (cas: 93-92-5) .

1-Phenylethyl acetate(cas:93-92-5) is a carboxylic ester. Application of 93-92-5 It may be prepared by acetylation of methyl phenyl carbinol; from benzaldehyde by reacting with magnesium methyl bromide and subsequent acetylation; from 1-bromoethylbenzene and silver acetate in acetic acid.

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

Abood, Amira;Al-Fahad, Ahmed;Scott, Alan;Hosny, Alaa El-Dein M. S.;Hashem, Amal M.;Fattah, Azza M. A.;Race, Paul R.;Simpson, Thomas J.;Cox, Russell J. published 《Kinetic characterisation of the FAD dependent monooxygenase TropB and investigation of its biotransformation potential》 in 2015. The article was appeared in 《RSC Advances》. They have made some progress in their research.Computed Properties of C10H12O4 The article mentions the following:

Achieving regio-specific hydroxylation of aromatic compounds remains a major challenge in synthetic chem. By contrast, this transformation is readily accomplished in nature through the action of FAD-dependent monooxygenase enzymes. Here, the authors report the kinetic characterization of one such enzyme, TropB, from the stipitatic acid biosynthetic pathway. Analogs of the TropB natural substrate, 3-methyl-orcinaldehyde, were synthesized and used to examine the substrate selectivity of this enzyme. TropB displays broad substrate tolerance, for instance accepting single-ring aromatic substrates containing a range of C-1 substituents with varying electronic and steric properties. These include nitro, nitrosyl, alkyl, and aryl keto groups. Bicyclic substrates, however, were rejected by TropB. Addnl., C-5 substituents on single-ring aromatic substrates were not tolerated whereas the presence of a 6-Me group is important for substrate binding. Docking studies were employed to study and understand the broad substrate selectivity of TropB and identifies the key structural elements of its substrates. The authors′ work showed that TropB is an attractive target for biocatalyst engineering and industrial aromatic hydroxylation. To complete the study, the researchers used Methyl 2,4-dihydroxy-3,6-dimethylbenzoate (cas: 4707-47-5) .

Methyl 2,4-dihydroxy-3,6-dimethylbenzoate(4707-47-5) is used in biological study as role of androgens in inducing distinct response of epithelial-mesenchymal transition factors in human prostate cancer cells.Computed Properties of C10H12O4

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

Ye, Feng-mei;Xie, Yang-guo;Zhu, Yan;Ren, Jie;Wang, Xing;Yan, Shi-kai;Jin, Hui-zi published 《Chemical constituents of branches and leaves of Illicium wardii A. C. Smith》 in 2015. The article was appeared in 《Tianran Chanwu Yanjiu Yu Kaifa》. They have made some progress in their research.Related Products of 4707-47-5 The article mentions the following:

The aim is to investigate chem. constituents of the branches and leaves of Illicium wardii A. C. Smith. Chem. constituents were isolated by using column chromatog. from 95% ethanol extracts of the branches and leaves of I. wardii. Their structures were elucidated by NMR, IR and MS techniques. Fifteen compounds were obtained and identified as β-sitosterol(1), hexacosane(2), dunnianol(3), tetratriacontanol(4), isorhamnetin-3-O-β-D-rutinoside(5), acernikol(6), subamone(7), methyl-β-orsellinate(8), hinokinin(9), magnolol(10), protocatechuic acid(11), isodunnianol(12), vitrifol A(13), (+)-dihydrodehydrodiconiferyl alc.(14) and (-)-massoniresinol(15). Compounds 2-15 were obtained from this plant firstly, and compound 7 and 15 were found from illiciaceae family firstly. And Methyl 2,4-dihydroxy-3,6-dimethylbenzoate (cas: 4707-47-5) was used in the research process.

Methyl 2,4-dihydroxy-3,6-dimethylbenzoate(4707-47-5) is used in biological study as role of androgens in inducing distinct response of epithelial-mesenchymal transition factors in human prostate cancer cells.Related Products of 4707-47-5

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

Narobe, Rok;Murugesan, Kathiravan;Haag, Christoph;Schirmer, Tobias Emanuel;Koenig, Burkhard published 《C(sp³)-H Ritter amination by excitation of in-situ generated iodine(III)-BF₃ complexes》. The research results were published in《Chemical Communications (Cambridge, United Kingdom)》 in 2022.Safety of Methyl 3-methylbenzoate The article conveys some information:

Visible light excitation of iodine(III)-BF₃ complex enables the formation of carbocations from C(sp³)-H bonds. The complexes were generated catalytically from iodoarene, carboxylate ligand, the oxidizing agent Selectfluor and the Lewis acid BF₃. This modular catalytic system allowed the formation of synthetically valuable amine derivatives without a metal- or photocatalyst.Methyl 3-methylbenzoate (cas: 99-36-5) were involved in the experimental procedure.

Methyl 3-methylbenzoate (cas: 99-36-5) is a common ester. Esters are widespread in nature and are widely used in industry. Several billion kilograms of polyesters are produced industrially annually, important products being polyethylene terephthalate, acrylate esters, and cellulose acetate.Safety of Methyl 3-methylbenzoate

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

Wu, Luyi;Gu, Muen;Zhu, Yi;Liu, Huirong;Qin, Wenzheng;Huang, Yan;Dou, Chuanzi;Yuan, Lingsong;Lu, Ying;Zhou, Cili;Li, Jing published 《Urine metabonomic research of herbs-partition moxibustion with matching mu points in UC rats based on UPLC-Q/TOF MS》. The research results were published in《Shijie Zhongyiyao》 in 2016.Category: esters-buliding-blocks The article conveys some information:

To explore the mechanism of herbs-partition moxibustion with the matching mu points in treating UC rats based on metabonomic with UPLC-Q/TOF MS. Methods: Sprague-Dawley rats of 27 cases were randomly divided into normal group, model group, herbs-partition moxibustion with the matching mu points group. The UC rat model was established by drinking DSS aqueous solution In herbs-partition moxibustion with the matching mu points group, each point moxibustion with 2 moxa cones, once per day, and lasting for 14 days. After moxibustion treatment, all groups urine was analyzed with UPLC-Q/TOF MS. The acquired data were analyzed using principal component anal. (PCA) and partial least squares discriminant anal. (PLS-DA). The potential biomarkers and metabolic pathways were analyzed by Metlin (http://metlin.scripps. edu/), KEGG (http: //www.kegg.jp), HMDB (http: //www.hmdb.ca), MetaboAnalyst 3.0 (http: //www.metaboanalyst.ca). Results: Under both pos. ion model and neg. ion model, the separation trends of 3 groups urine were good. Herbs-partition moxibustion with the matching mu points effectively reduced in 6 different metabolites expression, such as L-cysteine, atraric acid, tocopheronic acid, di-Bu malate, L-tyrosine, L-pipecolic acid, which increased in model group. All 6 different metabolites above were mainly related to amino acid metabolic pathways, such as phenylalanine, tyrosine and tryptophan biosynthesis, cysteine and methionine metabolism, tyrosine metabolism, and so on. Conclusion: The mechanism of herbs-partition moxibustion with the matching mu points in treating UC may mainly relate to amino acid metabolism To complete the study, the researchers used Methyl 2,4-dihydroxy-3,6-dimethylbenzoate (cas: 4707-47-5) .

Methyl 2,4-dihydroxy-3,6-dimethylbenzoate(4707-47-5) is used in biological study as role of androgens in inducing distinct response of epithelial-mesenchymal transition factors in human prostate cancer cells.Category: esters-buliding-blocks

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

Boehm, Philip;Roediger, Sven;Bismuto, Alessandro;Morandi, Bill published 《Palladium-Catalyzed Chlorocarbonylation of Aryl (Pseudo)Halides Through In Situ Generation of Carbon Monoxide》 in 2020. The article was appeared in 《Angewandte Chemie, International Edition》. They have made some progress in their research.Category: esters-buliding-blocks The article mentions the following:

An efficient palladium-catalyzed chlorocarbonylation of aryl (pseudo)halides that gives access to a wide range of carboxylic acid derivatives has been developed. The use of butyryl chloride as a combined CO and Cl source eludes the need for toxic, gaseous carbon monoxide, thus facilitating the synthesis of high-value products from readily available aryl (pseudo)halides. The combination of palladium(0), Xantphos, and an amine base is essential to promote this broadly applicable catalytic reaction. Overall, this reaction provides access to a great variety of carbonyl-containing products through in situ transformation of the generated aroyl chloride. Combined exptl. and computational studies support a reaction mechanism involving in situ generation of CO. And Methyl 3-methylbenzoate (cas: 99-36-5) was used in the research process.

Methyl 3-methylbenzoate (cas: 99-36-5) is a common ester. Esters are widespread in nature and are widely used in industry. Several billion kilograms of polyesters are produced industrially annually, important products being polyethylene terephthalate, acrylate esters, and cellulose acetate.Category: esters-buliding-blocks

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