Author: Jessica.F

Gas chromatographic analysis of different homologous series of acids esterified in aqueous solutions with butyl and propyl alcohols was written by Molnar-Perl, I.;Pinter-Szakacs, M.;Morvai, M.;Fabian-Vonsik, V.. And the article was included in Journal of Chromatography in 1988.Recommanded Product: 1190-39-2 This article mentions the following:

Fatty acids and aliphatic and aromatic di- and polycarboxylic acids were esterified with aliphatic alcs. in the presence of water and a mineral acid as catalyst. The efficiency of derivatization as well as the detector responses obtained with two alcs. are compared with each other to establish the optimum conditions for various series of acids. The molar ratios of water/alc. which yielded quant. esterifications are given, as is the maximum water content of the esterifying mixture permitted in order for esterification to proceed to completion. The optimum conditions for a reasonable ester yield in the presence of anhydrous Na₂SO₄ are also presented. In the experiment, the researchers used many compounds, for example, malonic acid dibutyl ester (cas: 1190-39-2Recommanded Product: 1190-39-2).

malonic acid dibutyl ester (cas: 1190-39-2) 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.Recommanded Product: 1190-39-2

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

Preservation of the Conformational Structures of Single-Polymer Crystals in Solution was written by Itoh, Takahito;Suzuki, Tatsuya;Kondo, Fumiaki;Suzuki, Takumi;Uno, Takahiro;Kubo, Masataka;Tohnai, Norimitsu;Sanda, Fumio;Miyata, Mikiji. And the article was included in Macromolecules (Washington, DC, United States) in 2022.Computed Properties of C11H20O4 This article mentions the following:

We have found that the cis-conformational structures in single-polymer crystals obtained by solid-state polymerization are retained in solution A soluble alternating copolymer was accidentally obtained during our research employing a series of 7,7,8,8-tetrakis(alkoxycarbonyl)-p-quinodimethanes (1) with alkoxy groups such as methoxy(1a(Me)), ethoxy(1b(Et)), propoxy(1c(Pr)), isopropoxy(1d(iPr)), butoxy(1e(Bu)), isobutoxy(1f(iBu)), pentyloxy(1g(Pen)), hexyloxy(1h(Hex)), and dodecyloxy(1i(Dod)). Thus, 1a(Me), 1b(Et), 1c(Pr), 1e(Bu), and 1g(Pen) with linear alkoxy groups afforded 1:1 charge-transfer complex crystals with 7,7,8,8-tetracyanoquinodimethane (3), while 1d(iPr), 1f(iBu), 1h(Hex), and 1i(Dod) with branching or linear long-chain alkoxy groups did not. The former crystals topochem. underwent photochem. and thermal copolymerizations via a radical mechanism to yield cis-conformational alternating copolymer crystals according to X-ray crystallog. Attractively, the rates of thermal copolymerization were found to increase roughly with an increase in the chain length of the linear alkoxy groups and/or a decrease in the reacting exomethylene carbon distances between 1 and 3. This finding led us to carry out a spontaneous copolymerization of 1g(Pen) with 3 in solution, resulting in the first synthesis of a soluble alternating copolymer during our research. Spectral analyses of the soluble copolymer of 1g(Pen) with 3, together with geometry optimization and spectroscopic simulations, proved that the cis-conformational structure was retained in solution as well as in the solid state. This provides the first spectral observation of a cis-conformational structure in solution with respect to the alternating copolymers of the p-quinodimethane derivatives In the experiment, the researchers used many compounds, for example, malonic acid dibutyl ester (cas: 1190-39-2Computed Properties of C11H20O4).

malonic acid dibutyl ester (cas: 1190-39-2) 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. Cyclic esters are called lactones, regardless of whether they are derived from an organic or inorganic acid. One example of an organic lactone is γ-valerolactone.Computed Properties of C11H20O4

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Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

4-[4-(4-Fluorophenyl)-2-methyl-5-oxo-2,5-dihydroisoxazol-3-yl]pyridinium iodide-4-[3-(4-fluorophenyl)-2-methyl-5-oxo-2,5-dihydroisoxazol-4-yl]pyridinium iodide (0.6/0.4) was written by Margutti, Simona;Schollmeyer, Dieter;Laufer, Stefan. And the article was included in Acta Crystallographica, Section E: Structure Reports Online in 2008.Synthetic Route of C10H11FO2 This article mentions the following:

The crystal structure of 4-[4-(4-fluorophenyl)-2-methyl-5-oxo-2,5-dihydroisoxazol-3-yl]pyridinium iodide-4-[3-(4-fluorophenyl)-2-methyl-5-oxo-2,5-dihydroisoxazol-4-yl]pyridinium iodide (0.6/0.4), C₁₆H₁₆FN₂O₂⁺·I^–, was determined as part of a study of the biol. activity of isoxazolone derivatives as p38 mitogen-activated protein kinase (MAPK) inhibitors. The x-ray crystal structure of 4-[4-(4-fluorophenyl)-2-Me-5-oxo-2,5-dihydroisoxazol-3-yl]pyridinium iodide showed the regioisomer 4-[3-(4-fluorophenyl)-2-Me-5-oxo-2,5-dihydroisoxazol-4-yl]pyridinium iodide. The synthesis of the former compound was achieved by reacting 4-(4-fluorophenyl)-3-(4-pyridyl)isoxazol-5(2H)-one after treatment with Et₃N in DMF, with iodomethane. The unexpected formation of the regioisomer could be explained by a rearrangement occurring via aziridine of the isoxazolone compound The regioisomers have site occupancies of 0.632(4)/0.368(4). The 2 6 members rings make a dihedral angle of 66.8(2)°. Crystallog. data are given. In the experiment, the researchers used many compounds, for example, Ethyl 2-(4-fluorophenyl)acetate (cas: 587-88-2Synthetic Route of C10H11FO2).

Ethyl 2-(4-fluorophenyl)acetate (cas: 587-88-2) belongs to esters. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. 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.Synthetic Route of C10H11FO2

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Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Characteristic components of botrytized wine. V. Some neutral volatile compounds of botrytized wine was written by Yunome, H.;Nishimura, K.;Masuda, M.;Zenibayashi, Y.;Ohkawa, E.. And the article was included in Hakko Kogaku Kaishi in 1981.Product Details of 15399-05-0 This article mentions the following:

The volatile neutral components of botrytized wines prepared from Riesling and Semillon grapes were isolated and enriched by liquid-liquid extraction (n-pentane) and then analyzed by gas chromatog. and GC-MS spectrometry. Among 143 flavor compounds identified, quant. differences between the botrytized wines and the normal wines were noted for 33 compounds The following compounds were present in larger amounts in the botrytized wines: 3-octanol [589-98-0], 1-octen-3-ol [3391-86-4], benzaldehyde [100-52-7], furfural [98-01-1], γ-nonalactone [104-61-0], phthalide [87-41-2], Et levulinate [539-88-8], Et phenylacetate [101-97-3], di-Et glutarate [818-38-2], di-Et azelate [624-17-9], and 3 unknown compounds Twenty compounds were present in larger amounts in the normal wines. Some of the botrytized wine flavor appeared in normal wine on addition of 13 volatile and 5 nonvolatile compounds characteristic of botrytized wine. In the experiment, the researchers used many compounds, for example, Ethyl 2-hydroxy-3-phenylpropanoate (cas: 15399-05-0Product Details of 15399-05-0).

Ethyl 2-hydroxy-3-phenylpropanoate (cas: 15399-05-0) 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. 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 15399-05-0

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Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Aminopyrazine Inhibitors Binding to an Unusual Inactive Conformation of the Mitotic Kinase Nek2: SAR and Structural Characterization was written by Whelligan, Daniel K.;Solanki, Savade;Taylor, Dawn;Thomson, Douglas W.;Cheung, Kwai-Ming J.;Boxall, Kathy;Mas-Droux, Corine;Barillari, Caterina;Burns, Samantha;Grummitt, Charles G.;Collins, Ian;van Montfort, Rob L. M.;Aherne, G. Wynne;Bayliss, Richard;Hoelder, Swen. And the article was included in Journal of Medicinal Chemistry in 2010.Quality Control of Methyl 2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate This article mentions the following:

We report herein the first systematic exploration of inhibitors of the mitotic kinase Nek2. Starting from HTS hit aminopyrazine I, compounds with improved activity were identified using structure-based design. Our structural biol. investigations reveal two notable observations. First, I and related compounds bind to an unusual, inactive conformation of the kinase which to the best of our knowledge has not been reported for other types of kinase inhibitors. Second, a phenylalanine residue at the center of the ATP pocket strongly affects the ability of the inhibitor to bind to the protein. The implications of these observations are discussed, and the work described here defines key features for potent and selective Nek2 inhibition, which will aid the identification of more advanced inhibitors of Nek2. In the experiment, the researchers used many compounds, for example, Methyl 2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate (cas: 525362-07-6Quality Control of Methyl 2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate).

Methyl 2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate (cas: 525362-07-6) 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.Quality Control of Methyl 2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

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Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Comparison of the acyl chain specificities of human myristoyl-CoA synthetase and human myristoyl-CoA:protein N-myristoyltransferase was written by Kishore, Nandini S.;Wood, David C.;Mehta, Pramod P.;Wade, Arlene C.;Lu, Tianbao;Gokel, George W.;Gordon, Jeffrey I.. And the article was included in Journal of Biological Chemistry in 1993.Reference of 3903-40-0 This article mentions the following:

Myristoyl-CoA synthetase (I) and protein N-myristoyltransferase (II) were partially purified from a human erythroleukemia cell line. Their substrate specificities were examined using 2 in vitro assays of enzyme activity together with a panel of C₇-C₁₇ saturated fatty acids plus 72 myristic acid analogs containing O, S, ketocarbonyl, ester, amide, cis and trans double bonds, triple bonds, and para-substituted Ph groups. There was an inverse relation between the polarity and the activity of C₁₄ fatty acid substrates of I. Surveys of tetradecenoic and tetradecynoic acids suggested that myristate is bound to I in a bent conformation with a principal bend occurring in the vicinity of C5-C6. I was able to tolerate a somewhat wider range of physicochem. properties in acyl chains than was the monomeric human II. However, like I, there was an inverse relation between acyl chain polarity and the activities of the acyl-CoA substrates of II. Moreover, the acyl chain of myristoyl-CoA appeared to be bound to II in a bent conformation with bends located in the vicinity of C5 and C8. The acyl chain specificities of both enzymes make them well suited to utilize efficiently any cellular pools of 5Z-tetradecenoic and 5Z,8Z-tetradecadienoic acids and their CoA derivatives This feature may account for the recent observation that in some mammalian cell lineages, certain N-myristoyl-proteins are heterogeneously acylated with these C₁₄ fatty acids. Finally, the acyl-CoA binding sites of human and Saccharomyces cerevisiae II appeared to have been highly conserved. Given their overlapping yet distinct peptide substrate specificities, the development of species-specific inhibitors of II should probably focus on structural features recognized in the enzyme peptide substrates rather than in the acyl chain of their acyl-CoA substrates. In the experiment, the researchers used many compounds, for example, 12-Methoxy-12-oxododecanoic acid (cas: 3903-40-0Reference of 3903-40-0).

12-Methoxy-12-oxododecanoic acid (cas: 3903-40-0) 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. 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. Reference of 3903-40-0

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Ester – an overview | ScienceDirect Topics

Bicyclic Picomolar OGA Inhibitors Enable Chemoproteomic Mapping of Its Endogenous Post-translational Modifications was written by Gonzalez-Cuesta, Manuel;Sidhu, Peter;Ashmus, Roger A.;Males, Alexandra;Proceviat, Cameron;Madden, Zarina;Rogalski, Jason C.;Busmann, Jil A.;Foster, Leonard J.;Garcia Fernandez, Jose M.;Davies, Gideon J.;Ortiz Mellet, Carmen;Vocadlo, David J.. And the article was included in Journal of the American Chemical Society in 2022.Electric Literature of C8H6FNS This article mentions the following:

Owing to its roles in human health and disease, the modification of nuclear, cytoplasmic, and mitochondrial proteins with O-linked N-acetylglucosamine residues (O-GlcNAc) has emerged as a topic of great interest. Despite the presence of O-GlcNAc on hundreds of proteins within cells, only two enzymes regulate this modification. One of these enzymes is O-GlcNAcase (OGA), a dimeric glycoside hydrolase that has a deep active site cleft in which diverse substrates are accommodated. Chem. tools to control OGA are emerging as essential resources for helping to decode the biochem. and cellular functions of the O-GlcNAc pathway. Here we describe rationally designed bicyclic thiazolidine inhibitors that exhibit superb selectivity and picomolar inhibition of human OGA. Structures of these inhibitors in complex with human OGA reveal the basis for their exceptional potency and show that they extend out of the enzyme active site cleft. Leveraging this structure, we create a high affinity chemoproteomic probe that enables simple one-step purification of endogenous OGA from brain and targeted proteomic mapping of its post-translational modifications. These data uncover a range of new modifications, including some that are less-known, such as O-ubiquitination and N-formylation. We expect that these inhibitors and chemoproteomics probes will prove useful as fundamental tools to decipher the mechanisms by which OGA is regulated and directed to its diverse cellular substrates. Moreover, the inhibitors and structures described here lay out a blueprint that will enable the creation of chem. probes and tools to interrogate OGA and other carbohydrate active enzymes. 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 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. 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

Effects of Diet on the Volatile Flavor and Nutritional Ingredients of Common Octopus (Octopus vulgaris) was written by Luo, Qihao;Wang, Weijun;Li, Zan;Zhu, Xinghua;Wang, Xue;Zhang, Tonghua;Xu, He;Yang, Jianmin. And the article was included in Journal of Ocean University of China in 2021.Application of 868-57-5 This article mentions the following:

Cephalopods are important economic shellfish that have been developed extensively in the coastal water of various countries. This study explored the effect of different diets on the volatile flavor and nutritional ingredients of O. vulgaris. Four diets were tested in four groups: Group A (fish (Scomberomorus niphonius)), Group B (crab (Helice tridens tientsinensis Rathbun)), Group C (clam (Mactra veneriformis)), and Group D (squid (Loligo japonica)). Octopus muscles were sampled after 36 days of feeding, and volatile flavor substances (VFSs), fatty acids (FAs), and amino acids (AAs) were detected. Results showed that the VFSs, FAs, and AAs of octopus in the four groups were obviously different. The sum of volatile ketones and aldehydes was higher in Group B than in the other groups, which could present much more flavors. All groups were abundant in unsaturated FAs, including eicosapentaenoic acid (EPA) and docosahexaenoic acid (DHA). In terms of content and variety, the FAs in Group B were more beneficial to human health than those in the other groups. The content of each AA in Group B was basically higher than those in the other groups and was significantly higher than that in Group D (P < 0.05). Comparing the VFSs, FAs, and AAs in samples fed with four kinds of diets, the results indicate that using crab to feed O. vulgaris can achieve better effects on volatile flavor and nutritional ingredients. In the experiment, the researchers used many compounds, for example, Methyl2-methylbutyrate (cas: 868-57-5Application of 868-57-5).

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. 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 of 868-57-5

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

Influence of fruit ripening on color, organic acid contents, capsaicinoids, aroma compounds, and antioxidant capacity of Shimatogarashi (Capsicum frutescens) was written by Manikharda;Takahashi, Makoto;Arakaki, Mika;Yonamine, Kaoru;Hashimoto, Fumio;Takara, Kensaku;Wada, Koji. And the article was included in Journal of Oleo Science in 2018.Product Details of 659-70-1 This article mentions the following:

Shimatogarashi (Capsicum frutescens) is a typical chili pepper domesticated in southern Japan. Important traits of Shimatogarashi peppers, such as color; proportion of organic acids, capsaicinoids, and aromatic compounds; and antioxidant activity in three stages of maturity (green (immature), orange (turning), and red (mature) stages) were characterized. The results indicated that the concentration of organic acids, including ascorbic, citric, and malic acid, increased during ripening. In addition, the amount of capsaicinoids, which are responsible for the pungent taste of chili peppers, increased as the fruit matured to the orange and red stages. The volatile compound profile of Shimatogarashi was dominated by the presence of esters, which mainly contributed to fruity notes. The total amount of volatile compounds analyzed by gas chromatog.-headspace solid-phase microextraction (GC-HS-SPME), especially esters, decreased as the fruit changed in color from green to red. This was in contrast to the amount of terpenoids, especially limonene, which increased at the red stage, denoting a change in flavor from fruity to a more citrus-like aroma. Based on the total phenolic content (TPC), the oxygen radical absorbance capacity (ORAC) and the diphenylpicrylhydrazyl (DPPH) free radical method, the antioxidant capacity of Shimatogarashi showed an increase at the mature red stage. However, while the red stage showed higher pungency and antioxidant capacity as well as an attractive color, the results of aromatic compound anal. revealed that the immature green stage had the advantages of having pleasant fruity smell, making it suitable for use in condiments. In the experiment, the researchers used many compounds, for example, Isopentyl 3-methylbutanoate (cas: 659-70-1Product Details of 659-70-1).

Isopentyl 3-methylbutanoate (cas: 659-70-1) belongs to esters. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. 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.Product Details of 659-70-1

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

Aroma characterization and their changes during the processing of black teas from the cultivar, Camellia sinensis (L.) O. Kuntze cv. Jinmudan was written by Li, Junyao;Hao, Changhong;Jia, Huiyan;Zhang, Jing;Wu, Huiting;Ning, Jingming;Wang, Rangjian;Deng, Wei-Wei. And the article was included in Journal of Food Composition and Analysis in 2022.Reference of 695-06-7 This article mentions the following:

Jinmudan (JMD) black tea is processed from the JMD cultivar (Camellia sinensis (L.) O. Kuntze cv. Jinmudan). Dried JMD black tea (JMD-D) received a score of 7.43 in the quant. descriptive anal., indicating that it had the strongest fruity flavor. Many volatile compounds (129) were identified by solvent assisted flavor evaporation and gas chromatograph mass spectrometry. In total, 26 aroma active compounds, including (Z)-Me epi-jasmonate (flavor dilution factor (FD): 128-1024), benzeneacetaldehyde (FD: 512-1024), linalool (FD: 256-1024), geraniol (FD: 256-512), jasmine lactone (FD: 64-1024), were identified in JMD-D and controls through an aroma extract dilution anal. and gas chromatog.-mass spectrometry olfactometry. On the basis of the FD values, odor activity values, and relative quantification results, the volatiles of fruit flavor derived from lipids, such as jasmine lactone, were prominent in JMD-D compared to the controls. During the processing of the four types of black tea, the volatile fraction concentration increased mainly from the fresh leaf to the fermentation stage and decreased in the drying stage. In the experiment, the researchers used many compounds, for example, 5-Ethyldihydrofuran-2(3H)-one (cas: 695-06-7Reference of 695-06-7).

5-Ethyldihydrofuran-2(3H)-one (cas: 695-06-7) 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.Reference of 695-06-7

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