Tag: 100-200

《Parallel synthesis of derivatives of 1H-1,2,4-triazole-3-carboxylic acids with heterocyclic substituents at position 5》 was written by Grebenkina, Lyubov E.; Matveev, Andrey V.; Chudinov, Mikhail V.. Product Details of 16982-21-1 And the article was included in Chemistry of Heterocyclic Compounds (New York, NY, United States) in 2020. The article conveys some information:

A mild universal method for the synthesis of derivatives of 5-substituted 1H-1,2,4-triazole-3-carboxylic acids I (R = tetrahydrofuran-2-yl, furan-3-yl, tetrahydropyran-2-yl, thiophen-3-yl, pyridin-2-yl, etc.; R1 = OEt, NH2) from a single precursor, Et β-N-Boc-oxalamidrazone, has been proposed. The method was applied for the parallel synthesis of a library of 1H-1,2,4-triazole-3-carboxamides I (R1 = NH2) with heterocyclic substituents at position 5. After reading the article, we found that the author used Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1Product Details of 16982-21-1)

Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1) belongs to anime. Primary amines having a tertiary alkyl group (R3CNH2) are difficult to prepare with most methods but are made industrially by the Ritter reaction. In this method a tertiary alcohol reacts with hydrogen cyanide (HCN) in the presence of a concentrated strong acid; a formamide, RNH―CHO, is formed first, which then undergoes hydrolysis.Product Details of 16982-21-1

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《Synthesis of 2-[2-(hydroxyimino)alkyl]-1,2-oxazol-5(2H)-ones》 was written by Nikolaenkova, Elena B.; Bagryanskaya, Irina Yu.; Tikhonov, Alexsei Ya.. Application In Synthesis of Ethyl 2-methyl-3-oxobutanoate And the article was included in Chemistry of Heterocyclic Compounds (New York, NY, United States) in 2020. The article conveys some information:

The reaction of α-hydroxyamino oximes with Et acetoacetate and Et α-methylacetoacetate yields 2-[2-(hydroxyimino)alkyl]-1,2-oxazol-5(2H)-ones. In the reaction of alkylarom. α-hydroxyamino oximes with Et acetoacetate, the intermediate imidazo[1,2-b]-[1,2]oxazolones were isolated, which then convert to the target compoundsEthyl 2-methyl-3-oxobutanoate(cas: 609-14-3Application In Synthesis of Ethyl 2-methyl-3-oxobutanoate) was used in this study.

Ethyl 2-methyl-3-oxobutanoate(cas: 609-14-3) belongs to ketone compounds. They are most widely used as solvents, especially in industries manufacturing explosives, lacquers, paints, and textiles. Ketones are also used in tanning, as preservatives, and in hydraulic fluids.Application In Synthesis of Ethyl 2-methyl-3-oxobutanoate

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Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

The author of 《Facile synthesis of model 2,4-diaryl-1,3,4-thiadiazino[5,6-h]fluoroquinolones》 were Abadleh, Mohammed M.; Arafat, Tawfiq; Abu-Qatouseh, Luay; El-Abadelah, Mustafa M.; Awwadi, Firas F.; Voelter, Wolfgang. And the article was published in Zeitschrift fuer Naturforschung, B: A Journal of Chemical Sciences in 2019. Application In Synthesis of Ethyl 3-(dimethylamino)acrylate The author mentioned the following in the article:

A Selected set of 2,4-diaryl-7-oxo-1,2,4-thiadiazino[5,6-h]quinoline-8-carboxylic acids I (Ar = C6H5, 4-MeC6H5, 4-FC6H5, etc.) has been prepared via reaction of the parent 7-chloro-8-nitro-10-cyclopropyl-6-fluoroquinolone with the appropriate N’-(aryl)benzothiohydrazides in presence of triethylamine. Structures of the new heterocyclics I are supported by spectral data and confirmed by single-crystal X-ray crystallog. for I (Ar = C6H5). In the experiment, the researchers used many compounds, for example, Ethyl 3-(dimethylamino)acrylate(cas: 924-99-2Application In Synthesis of Ethyl 3-(dimethylamino)acrylate)

Ethyl 3-(dimethylamino)acrylate(cas: 924-99-2) belongs to anime. Amines characteristically form salts with acids; a hydrogen ion, H+, adds to the nitrogen. With the strong mineral acids (e.g., H2SO4, HNO3, and HCl), the reaction is vigorous. Salt formation is instantly reversed by strong bases such as NaOH. Neutral electrophiles (compounds attracted to regions of negative charge) also react with amines; alkyl halides (R′X) and analogous alkylating agents are important examples of electrophilic reagents.Application In Synthesis of Ethyl 3-(dimethylamino)acrylate

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

Computed Properties of C6H10O3On November 30, 2021 ,《Synthesis and permethylation of methyl 5-(2-chloropyridin-3-yl)pentanoates》 appeared in Chemistry of Heterocyclic Compounds (New York, NY, United States). The author of the article were Bendrath, Franziska; Langer, Peter. The article conveys some information:

Two Me 5-(2-chloropyridin-3-yl)pentanoates were prepared by condensation of 1,3-bis(silyloxy)-1,3-butadienes with 2-chloropyridine-3-carboxylic acid chloride. The permethylation of the products resulted in two completely different products, depending on the substitution pattern of the 1,3,5-tricarbonyl moiety. The experimental process involved the reaction of Methyl 3-oxovalerate(cas: 30414-53-0Computed Properties of C6H10O3)

Methyl 3-oxovalerate(cas: 30414-53-0) belongs to ketone compounds. Ketone compounds have important physiological properties. They are found in several sugars and in compounds for medicinal use, including natural and synthetic steroid hormones. Molecules of the anti-inflammatory agent cortisone contain three ketone groups.Computed Properties of C6H10O3

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Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Zhang, Penghan;Carlin, Silvia;Lotti, Cesare;Mattivi, Fulvio;Vrhovsek, Urska published 《On sample preparation methods for fermented beverage VOCs profiling by GCxGC-TOFMS》 in 2020. The article was appeared in 《Metabolomics》. They have made some progress in their research.Category: esters-buliding-blocks The article mentions the following:

Aromas and tastes have crucial influences on the quality of fermented beverages. The determination of aromatic compounds requires global non-targeted profiling of the volatile organic compounds (VOCs) in the beverages. However, exptl. VOC profiling result depends on the chosen VOC collection method. This study aims to observe the impact of using different sample preparation techniques [dynamic headspace (DHS), vortex-assisted liquid-liquid microextraction (VALLME), multiple stir bar sorptive extraction (mSBSE), solid phase extraction (SPE), and solid phase micro-extraction (SPME)] to figure out the most suitable sample preparation protocol for profiling the VOCs from fermented beverages. Five common sample preparation methods were studied with beer, cider, red wine, and white wine samples. After the sample preparation, collected VOCs were analyzed by two-dimensional gas chromatog. coupled with time of flight mass spectrometry (GCxGC-TOFMS). GCxGC oven parameters can be optimized with the Box-Behnken surface response model and response measure on peak dispersion. Due to the unavoidable column and detector saturation during metabolomic anal., errors may happen during mass spectrum construction. Profiling results obtained with different sample preparation methods show considerable variance. Common findings occupy a small fraction of total annotated VOCs. For known fermentative aromas, best coverage can be reached by using SPME together with SPE for beer, and VALLME for wine and cider. GCxGC-TOFMS is a promising tool for non-targeted profiling on VOCs from fermented beverages. However, a proper data processing protocol is lacking for metabolomic anal. Each sample preparation method has a specific profiling spectrum on VOC profiling. The coverage of the VOC metabolome can be improved by combining complementary methods. 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 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

Zenkevich, I. G.;Leleev, E. published 《Specific Features of the Gas Chromatographic Analysis of Samples in High-Boiling Solvents Using Capillary Columns with a Low Split Ratio of the Carrier Gas Flow》 in 2020. The article was appeared in 《Journal of Analytical Chemistry》. They have made some progress in their research.Recommanded Product: 93-92-5 The article mentions the following:

Abstract: Gas chromatog. anal. of samples in high-boiling polar organic solvents is characterized by several features. First, the resolution of the components depends on the injector temperature (T_inj), which should not be lower than the b.p. (T_bp) of the solvent. Second, the retention indexes (RIs) of the components eluted before the polar solvent zone are somewhat overestimated compared to the retention indexes of the components eluted after this zone. And, third, the so-called “discrimination effects ” are observed for these samples, first of all, the dependence of the absolute peak areas of the components from T_inj. It is confirmed that such dependence does not affect the results of quant. anal. by the method of internal normalization. Nevertheless, the possibility of using application of this and other methods is recommended, and the condition of T_inj ≥ T_bp should be satisfied to verify the thermal stability and mutual compatibility of the components of the test samples. These features are set in the anal. of both a solution of model analytes in 1,3-butanediol (T_bp = 207°C) and a sample of the food flavoring, which is a solution of a complex mixture of components in dipropylene glycol (T_bp 222-236°C). The reason for these effects is a slowdown in the process of sample evaporation and dynamic modification of the stationary phase of the chromatog. column by high-boiling polar solvents. And 1-Phenylethyl acetate (cas: 93-92-5) was used in the research process.

1-Phenylethyl acetate(cas:93-92-5) is a carboxylic ester. Recommanded Product: 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

Electric Literature of C10H12O2《Exploring Plant Performance, Fruit Physicochemical Characteristics, Volatile Profiles, and Sensory Properties of Day-Neutral and Short-Day Strawberry Cultivars Grown in Texas》 was published in 2021. The authors were Scott, Gabrielle;Williams, Cierra;Wallace, Russell W.;Du, Xiaofen, and the article was included in《Journal of Agricultural and Food Chemistry》. The author mentioned the following in the article:

To assist increasing annual acreage of Texas-grown (U.S.A.) strawberries, it is essential to select cultivars with excellent plant and fruit quality characteristics suitable to the diverse environments. This study assessed multiple traits of 10 strawberry cultivars grown under high tunnels. A significant difference (p ≤ 0.05) was observed for all traits, which possessed a wide variability of metabolites. Plant anal. (number of live plants, plant vigor, and harvest yield) indicated that the yield ranged from 226 to 431 g/plant, pos. correlated to plant vigor. Fruit physicochem. characteristic anal., including red color (absorbance at 500 nm) and taste-associated indicators [°Brix, titratable acidity (TA), and total soluble solids (TSS)/TA], showed that °Brix and TSS/TA ranged from 8.0 to 12.9 and from 9.1 to 15.3, resp. More than 300 volatiles were identified using solid-phase microextraction-gas chromatog.-mass spectrometry, and total volatiles varied 1.5 times with high variance of individual compounds between cultivars. Descriptive sensory anal. indicated that strawberry flavor was pos. associated with sensory attributes of sweetness, jammy, fruity, buttery, fresh, and creamy while neg. related to bitterness, astringency, and sourness. Partial least squares regression indicated that strawberry flavor was highly correlated with sweet taste and volatile composition No specific relationship between these traits and day-neutral or June-bearing varieties was identified. Ideal cultivars for Texas growing conditions with superior and balanced flavor qualities were Albion, Sweet Charlie, Camarosa, Camino Real, and Chandler. And 1-Phenylethyl acetate (cas: 93-92-5) was used in the research process.

1-Phenylethyl acetate(cas:93-92-5) is a carboxylic ester. Electric Literature of C10H12O2 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:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Xiao, Zuobing;Chen, Haiting;Niu, Yunwei;Zhu, Jiancai published 《Characterization of the Aroma-Active Compounds in Banana (Musa AAA Red green) and Their Contributions to the Enhancement of Sweetness Perception》 in 2021. The article was appeared in 《Journal of Agricultural and Food Chemistry》. They have made some progress in their research.Category: esters-buliding-blocks The article mentions the following:

“Hongmeiren” bananas are popular because of their red peel. Two extraction methods solvent-assisted flavor evaporation and headspace solid-phase microextraction, combined with gas chromatog.-olfactometry and gas chromatog.-mass spectrometry (GC-MS), were used to analyze the volatile components of “Hongmeiren” bananas. A total of 86 aroma compounds were identified by GC-MS, 62 of which were identified as the major aroma-active compounds with an odor activity value ≥ 1 or modified frequency ≥ 30%. Et (E)-2-butenoate, 4-undecanone, and α-phellandrene were found in bananas for the first time. Sensory experiments showed that eight sweet-associated odorants could significantly achieve the sweetness enhancement effect at 30 g/L sucrose solution by odor-induced changes in taste perception. These experiments suggest that selected odorants can achieve sugar reduction, but with consideration of the sugar concentration The study of the sweetness enhancement effect of individual compounds provides a more direct theor. support for sugar reduction in the food industry. 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. 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:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Yu, Zhiqun;Yao, Hongmiao;Xu, Qilin;Liu, Jiming;Le, Xingmao;Ren, Minna published 《Bronsted acid-catalyzed chlorination of aromatic carboxylic acids》. The research results were published in《Phosphorus, Sulfur and Silicon and the Related Elements》 in 2021.Category: esters-buliding-blocks The article conveys some information:

The chlorination of aromatic carboxylic acids with SOCl₂ has been effectively performed by reacting with a Bronsted acid as the catalyst. Based on this discovery, an efficient catalytic method that is cheaper than traditional catalytic methods was developed. 20 substrates were chlorinated offering excellent yields in a short reaction time. And the SOCl₂/Bronsted acid system has been used in a larger scale preparative reaction. A dual activation mechanism was proposed to prove the irreplaceable system of SOCl₂/Bronsted acid.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. In nature, fats are in general triesters derived from glycerol and fatty acids.Category: esters-buliding-blocks Esters are responsible for the aroma of many fruits, including apples, durians, pears, bananas, pineapples, and strawberries.

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

Lee, Isabelle;Na, Mihwa;O’Brien, Devin;Parakhia, Rahul;Alepee, Nathalie;Westerink, Walter;Eurlings, Irene;Api, Anne Marie published 《Assessment of the skin sensitization potential of fragrance ingredients using the U-SENS assay》 in 2022. The article was appeared in 《Toxicology In Vitro》. They have made some progress in their research.Quality Control of Methyl 2,4-dihydroxy-3,6-dimethylbenzoate The article mentions the following:

The U-SENS assay was developed to address the third key event of the skin sensitization adverse outcome pathway (AOP) and is described in OECD test guideline 442E, Annex II. A dataset of 68 fragrance ingredients comprised of 7 non-sensitizers and 61 sensitizers was tested in the U-SENS assay. The potential for fragrance ingredients to activate dendritic cells, measured by U-SENS, was compared to the sensitization potential determined by weight of evidence (WoE) from historical data. Of the non-sensitizers, 4 induced CD86 cell surface marker ≥1.5-fold while 3 did not. Of the sensitizers, 50 were predicted to be pos. in U-SENS, while the remaining 11 were neg. Pos. and neg. predictive values (PPV and NPV) of U-SENS were 93% and 21%, resp. No specific chem. property evaluated could account for misclassified ingredients. Assessment of parent and metabolite protein binding alerts in silico suggests that parent chem. metabolism may play a role in CD86 activation in U-SENS. Combining the U-SENS assay in a “2 out of 3” defined approach with the direct peptide reactivity assay (DPRA) and KeratinoSens predicted sensitization hazard with PPV and NPV of 97% and 24%, resp. Combining complementary in silico and in vitro methods to the U-SENS assay should be integrated to define the hazard classification of fragrance ingredients, since a single NAM cannot replace animal-based methods. The experimental procedure involved many compounds, such as 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.Quality Control of Methyl 2,4-dihydroxy-3,6-dimethylbenzoate

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