Tag: 100-200

Synthesis and Evaluation of Metabotropic Glutamate Receptor Subtype 5 Antagonists Based on Fenobam was written by Gichinga, MosesG.;Olson, Jeremy P.;Butala, Elizabeth;Navarro, Hernan A.;Gilmour, Brian P.;Mascarella, S. Wayne;Carroll, F. Ivy. And the article was included in ACS Medicinal Chemistry Letters in 2011.Safety of 3-Cyanophenylisocyanate This article mentions the following:

In an effort to discover potent and selective metabotropic glutamate receptor subtype 5 (mGluR5) antagonists, 15 tetrahydropyrimidinone analogs of 1-(3-chlorophenyl)-3-(1-methyl-4-oxo-4,5-dihydro-1H-imidazol-2-yl)-urea (fenobam) were synthesized. These compounds were evaluated for antagonism of glutamate-mediated mobilization of internal calcium in an mGluR5 in vitro efficacy assay. The IC₅₀ value for 1-(3-chlorophenyl)-3-(1-methyl-4-oxo-1,4,5,6-tetrahydropyrimidine)urea was essentially identical to that of fenobam. In the experiment, the researchers used many compounds, for example, 3-Cyanophenylisocyanate (cas: 16413-26-6Safety of 3-Cyanophenylisocyanate).

3-Cyanophenylisocyanate (cas: 16413-26-6) 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. 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.Safety of 3-Cyanophenylisocyanate

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

In situ generation of nitrile oxides from copper carbene and tert-butyl nitrite: synthesis of fully substituted isoxazoles was written by Chen, Rongxiang;Ogunlana, Abosede Adejoke;Fang, Shangwen;Long, Wenhao;Sun, Hongmei;Bao, Xiaoguang;Wan, Xiaobing. And the article was included in Organic & Biomolecular Chemistry in 2018.Synthetic Route of C9H10O3S This article mentions the following:

A [3 + 2] cycloaddition reaction of β-keto esters with nitrile oxides, which were generated in situ from copper carbene and tert-Bu nitrite, is reported. This three-component reaction provides methodol. for the direct synthesis of fully substituted isoxazole derivatives, featuring mild reaction conditions, readily accessible starting materials and simple operation. The exptl. studies and DFT calculations suggest that the reaction starts with the generation of the key intermediate nitrile oxides, followed by a [3 + 2] cycloaddition reaction of β-keto esters to give the final isoxazole products. In the experiment, the researchers used many compounds, for example, Ethyl 3-oxo-3-(thiophen-2-yl)propanoate (cas: 13669-10-8Synthetic Route of 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. 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.Synthetic Route of C9H10O3S

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

Volatile composition of bilberry wines fermented with non-Saccharomyces and Saccharomyces yeasts in pure, sequential and simultaneous inoculations was written by Liu, Shuxun;Laaksonen, Oskar;Yang, Baoru. And the article was included in Food Microbiology in 2019.Application In Synthesis of Isopentyl 3-methylbutanoate This article mentions the following:

Bilberry (Vaccinium myrtillus L.) juice was fermented with Torulaspora delbrueckii (TD291 and TD70526) and Schizosaccharomyces pombe (SP3796 and SP70572) in pure fermentation as well as in sequential and simultaneous inoculations with Saccharomyces cerevisiae 1116 (SC1116). Altogether, 56 volatile compounds were identified and semi-quantified with HS-SPME-GC/MS in bilberry products. Yeast fermentation prominently enhanced the aroma complexity of bilberry with a sharp increase in alcs., esters, aldehydes, and acetals. Compared to S. cerevisiae, T. delbrueckii produced less ethanol but more fusel alcs. that potentially enhance “alc.” and “nail polish” odors in TD70526 and less “fruity” esters in TD291. SP70572 resulted in high productions of undesirable compounds of acetoin and acetaldehyde but a low content of higher alcs. and esters, SP3796 produced a high content of fatty acid Et esters and acetoin. In comparison with monoculture of non-Saccharomyces yeast, sequential and simultaneous cultures of S. pombe and S. cerevisiae significantly decreased the content of acetoin while increased the relative level of esters; sequential cultures of T. delbrueckii and S. cerevisiae remarkably increased the concentration of acetaldehyde; simultaneous inoculations of S. cerevisiae with TD70526 and TD291 significantly decreased the content of fusel alcs. and increased the content of esters, resp. The findings suggested that non-Saccharomyces yeasts possess the potential to affect and modulate the aromatic profile of fermented bilberry products. Sequential and simultaneous inoculations with S. pombe strains and S. cerevisiae as well as simultaneous fermentation using T. delbrueckii strains and S. cerevisiae are optimal strategies to pos. influence the aroma profile of bilberry wines. In the experiment, the researchers used many compounds, for example, Isopentyl 3-methylbutanoate (cas: 659-70-1Application In Synthesis of Isopentyl 3-methylbutanoate).

Isopentyl 3-methylbutanoate (cas: 659-70-1) 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. 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.Application In Synthesis of Isopentyl 3-methylbutanoate

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

Exploring the lipids involved in the formation of characteristic lactones in Japanese Black cattle was written by Ueda, Shuji;Sasaki, Ryo;Nakabayashi, Rio;Yamanoue, Minoru;Sirai, Yasuhito;Iwamoto, Eiji. And the article was included in Metabolites in 2021.Related Products of 706-14-9 This article mentions the following:

The meat from Japanese Black cattle (Japanese Wagyu) is finely marbled and exhibits a rich and sweet aroma known as Wagyu beef aroma. To clarify the key metabolites involved in the aroma, we analyzed the correlation between lactone and lipid composition in Japanese Black cattle. Using gas chromatog.-olfactometry, we identified 39 characteristic odorants of the intermuscular fat. Seven characteristic lactones considered to be involved in Wagyu beef aroma were quantified and compared in the marbled area and intermuscular fat using a stable isotope dilution assay. Among them, γ-hexalactone was the only lactone whose level was significantly higher in the marbled area. To explore the lipid species involved in lactone formation, we analyzed samples with different aroma characteristics. Liquid chromatog.-mass spectrometry revealed eight lipid classes and showed significant differences in triacylglycerides (TAGs). To determine the mol. species of TAGs, we performed high-performance liquid chromatog. anal. and identified 14 TAG species. However, these analyses showed that seven lactones had a low correlation with the TAGs. However, γ-hexalactone showed a pos. correlation with linoleic acid. This study suggests that lipid composition affects the characteristic lactone profile involved in the Wagyu beef aroma. In the experiment, the researchers used many compounds, for example, 5-Hexyldihydrofuran-2(3H)-one (cas: 706-14-9Related Products of 706-14-9).

5-Hexyldihydrofuran-2(3H)-one (cas: 706-14-9) 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. 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.Related Products of 706-14-9

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

Synthesis and antiinflammatory activity of cis- and trans-6,6a,7,8,9,10,10a,11-octahydro-11-oxodibenzo[b,e]thiepinacetic and -oxepinacetic acids was written by Kurokawa, Mikio;Uno, Hitoshi;Nakamura, Hideo;Sato, Fuminori;Naruto, Shunsuke. And the article was included in Journal of Medicinal Chemistry in 1990.Synthetic Route of C11H14O3 This article mentions the following:

Eight cis– and trans-6,6a,7,8,9,10,10a,11-octahydro-11-oxodibenzo[b,e]thiepin- and -oxepinacetic acids I (X = S, O; R = 2- and 3-CH₂CO₂H and -CHMeCO₂H) were prepared, and their antiinflammatory activities were examined in the rat carrageenan hind-paw edema test. The antiinflammatory activity depended on the configurations at C-6a, C-10a, and C-2 of the acetic moiety. The 6a,10a-trans compounds exhibited considerable antiinflammatory activity, while the 6a,10a-cis compounds were inactive. Among the trans compounds, I (X = S, O; R = 3-CHMeCO₂H) showed antiinflammatory activity superior to that of indomethacin. Trans phenethyl ester I (X = S; R = 3-CHMeCO₂CH₂CH₂Ph) (II) showed potent antiinflammatory activity, and its safety index was >14 times as high as that of indomethacin. II is the most favorable compound with high antiinflammatory activity and little ulcerogenicity. In the experiment, the researchers used many compounds, for example, Ethyl 2-hydroxy-3-phenylpropanoate (cas: 15399-05-0Synthetic Route of C11H14O3).

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. 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.Synthetic Route of C11H14O3

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

Volatile Compounds from Flowers of Elaeagnus x submacrophylla Servett.: Extraction, Identification of Flavonoids, and Antioxidant Capacity was written by Parrot, Isabelle;Bisi, Helene;Folliard, Arnaud;Bonnard, Michel. And the article was included in ChemPlusChem in 2021.COA of Formula: C9H10O3 This article mentions the following:

Beneficial to the ecosystem and with significant potential in permaculture, Elaeagnus x submacrophylla Servett. was studied here mainly for the identification of its floral odorants. After olfactory evaluation and determination of the volatile profile of freshly picked flowers by headspace/solid phase microextraction coupled with gas chromatog./mass spectrometry, an ethanolic extract was prepared and investigated for its antioxidant capacity. Unusual mols. were identified in the floral headspace, such as isochavicol or chrysanthemum acetate. The evaluation of the in vitro free radical scavenging capacity (from 0.4 to 1.3 mmol TE/g) and total phenolic content (65.1 mg GAE/g) of the extract pointed out a promising antioxidant activity, potentially related to the identification of several flavonoid glycosides. These results have to be considered in the context of the ever-increasing need to produce innovative natural extracts with notably interesting claims for the cosmetic field. In the experiment, the researchers used many compounds, for example, Ethyl 2-hydroxybenzoate (cas: 118-61-6COA of Formula: C9H10O3).

Ethyl 2-hydroxybenzoate (cas: 118-61-6) 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. 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: C9H10O3

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

Composition and profiles of volatile organic compounds during waste decomposition by the anaerobic bacteria purified from landfill was written by Shao, Yan;Xia, Mengjing;Liu, Jun;Liu, Xinyi;Li, Zhenshan. And the article was included in Waste Management (Oxford, United Kingdom) in 2021.Name: Isopentyl 3-methylbutanoate This article mentions the following:

Volatile organic compounds (VOCs) become concerned pollutants in landfill gases, and their composition and concentration varied significantly during waste decomposition Many environmental factors are known to affect VOC emissions, while the effect of indigenous bacteria in wastes on VOC production remains elusive. In this study, a simplified anaerobic degradation experiment, with the single substrate and the purified bacteria from a landfill, was set up to measure the degradation process and the dynamic changes of VOCs. The experiment excluded the abiotic factors for VOC variation. The two isolated bacteria, identified as Sporanaerobacter acetigenes and Clostridium sporogenes, could anaerobically ferment amino acids by Stickland reaction. They produced 51 and 57 species of VOCs in the experiment, resp. The concentration changes of VOCs over bacterial growth and fermentation were clustered into four types by principal component anal.: three profiles were regular, similar to the variation of nitrate, hydrogen sulfide, and the major fermentation products (carbon dioxide, ammonium, and volatile organic acids), resp.; while one profile was unique to any degradation indicator. The various concentration profiles indicated different origins for VOCs, possibly from the extracellular environment, fermentation, and secondary reactions. The findings provide insights into the understanding of VOC diversity and variability during waste decomposition In the experiment, the researchers used many compounds, for example, Isopentyl 3-methylbutanoate (cas: 659-70-1Name: Isopentyl 3-methylbutanoate).

Isopentyl 3-methylbutanoate (cas: 659-70-1) 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. 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.Name: Isopentyl 3-methylbutanoate

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

4-(4-Fluorophenyl)-2-methyl-3-(1-oxy-4-pyridyl)isoxazol-5(2H)-one was written by Margutti, Simona;Schollmeyer, Dieter;Laufer, Stefan. And the article was included in Acta Crystallographica, Section E: Structure Reports Online in 2008.Quality Control of Ethyl 2-(4-fluorophenyl)acetate This article mentions the following:

The crystal structure of 4-(4-fluorophenyl)-2-methyl-3-(1-oxy-4-pyridyl)isoxazol-5(2H)-one, C₁₅H₁₁FN₂O₃, was determined as part of a study on the biol. activity of isoxazolone derivatives as p38 mitogen-activated protein kinase (MAPK) inhibitors. The dihedral angles between rings are isoxazole/benzene = 55.0(3)°, isoxazole/pyridine = 33.8(2)° and benzene/pyridine = 58.1(2)°. Crystallog. data are given. In the experiment, the researchers used many compounds, for example, Ethyl 2-(4-fluorophenyl)acetate (cas: 587-88-2Quality Control of Ethyl 2-(4-fluorophenyl)acetate).

Ethyl 2-(4-fluorophenyl)acetate (cas: 587-88-2) 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. 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 Ethyl 2-(4-fluorophenyl)acetate

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

Inhibition of major groove DNA binding bZIP proteins by positive patch polyamides was written by Bremer, R. E.;Wurtz, N. R.;Szewczyk, J. W.;Dervan, P. B.. And the article was included in Bioorganic & Medicinal Chemistry in 2001.SDS of cas: 5930-92-7 This article mentions the following:

Cell permeable synthetic ligands that bind to predetermined DNA sequences offer a chem. approach to gene regulation, provided inhibition of a broad range of DNA transcription factors can be achieved. DNA minor groove binding polyamides containing aminoalkyl substituents at the N-1 of a single pyrrole residue display inhibitory effects for a bZIP protein which binds exclusively in the DNA major groove. For major groove protein inhibition, specific protein-DNA contacts along the phosphate backbone were targeted with the pos. charged dimethylamino substituent on the backbone of a minor groove binding polyamide hairpin. Remarkably, these polyamides bind DNA with enhanced affinity and uncompromised specificity when compared to polyamides with the aminoalkyl moiety at the C-terminus. By adding bZIP transcription factors to the class of protein-DNA complexes that can be disrupted by minor groove binding ligands, these results may increase the functional utility of polyamides as regulators of gene expression. In the experiment, the researchers used many compounds, for example, Ethyl 4-nitro-1H-pyrrole-2-carboxylate (cas: 5930-92-7SDS of cas: 5930-92-7).

Ethyl 4-nitro-1H-pyrrole-2-carboxylate (cas: 5930-92-7) 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. 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.SDS of cas: 5930-92-7

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

A 11-Steps Total Synthesis of Magellanine through a Gold(I)-Catalyzed Dehydro Diels-Alder Reaction was written by McGee, Philippe;Betournay, Genevieve;Barabe, Francis;Barriault, Louis. And the article was included in Angewandte Chemie, International Edition in 2017.Related Products of 17920-23-9 This article mentions the following:

We have developed an innovative strategy for the formation of angular carbocycles via a gold(I)-catalyzed dehydro Diels-Alder reaction. This transformation provides rapid access to a variety of complex angular cores in excellent diastereoselectivities and high yields. The usefulness of this Au(I)-catalyzed cycloaddition was further demonstrated by accomplishing a 11-steps total synthesis of (±)-magellanine. In the experiment, the researchers used many compounds, for example, Diethyl 2-(prop-2-yn-1-yl)malonate (cas: 17920-23-9Related Products of 17920-23-9).

Diethyl 2-(prop-2-yn-1-yl)malonate (cas: 17920-23-9) 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. 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.Related Products of 17920-23-9

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