Month: January 2023

Rational Design of Novel, Potent Small Molecule Pan-Selectin Antagonists was written by Kranich, Remo;Busemann, Anke S.;Bock, Daniel;Schroeter-Maas, Sabine;Beyer, Diana;Heinemann, Bo;Meyer, Michael;Schierhorn, Katrin;Zahlten, Rainer;Wolff, Gerhard;Aydt, Ewald M.. And the article was included in Journal of Medicinal Chemistry in 2007.Recommanded Product: Methyl 2-thienylacetate This article mentions the following:

The first results of a rational hit-finding strategy to design novel small mol. antiinflammatory drugs targeting selectins, a family of three cellular adhesion mols., are described. Based on recent progress in understanding of mol. interaction between selectins and their natural ligands as well as progress in clin. development of synthetic antagonists, such as bimosiamose (TBC1269), this study was initiated to discover small mol. selectin antagonists with improved pharmacol. properties. Considering bimosiamose as template structure, a ligand-based approach followed by focused chem. synthesis has been applied to yield novel synthetic small mols. (MW_r < 500) with a trihydroxybenzene motif, bearing neither peptidic nor glycosidic components, with nanomolar in vitro activity. Biol. evaluation involves two kinds of in vitro assays, a static mol. binding assay, and a dynamic HL-60 cell attachment assay. As compared to controls, the novel compounds showed improved biol. in vitro activity both under static and dynamic conditions. In the experiment, the researchers used many compounds, for example, Methyl 2-thienylacetate (cas: 19432-68-9Recommanded Product: Methyl 2-thienylacetate).

Methyl 2-thienylacetate (cas: 19432-68-9) 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.Recommanded Product: Methyl 2-thienylacetate

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

Synthesis of polyester by means of polycondensation of diol ester and dicarboxylic acid ester through ester-ester exchange reaction was written by Katoh, Takayoshi;Ogawa, Yukiko;Ohta, Yoshihiro;Yokozawa, Tsutomu. And the article was included in Journal of Polymer Science (Hoboken, NJ, United States) in 2021.COA of Formula: C12H22O4 This article mentions the following:

Based on our finding that the ester-ester exchange reaction between Bu benzoate and Et 4-phenylbenzoate in the presence of a metal alkoxide is faster than the ester-alc. exchange reaction of Bu benzoate and ethanol, we investigated the synthesis of polyester through ester-ester exchange reaction under various conditions. The polycondensation of diol formate and Me dicarboxylate in the presence of a catalytic amount of potassium tert-butoxide (tBuOK) in diglyme at 120°C under reduced pressure (90-100 Torr) afforded high-mol.-weight polyesters. Me dicarboxylate containing an amino group could be used for this polycondensation, although the corresponding diacid chloride containing an amino group was not isolable. The ester-ester exchange reaction could proceed even at the polyester backbone, and the reaction of poly(1,12-dodecamethylene isophthalate) (PEs1) with poly(ε-caprolactone) (PCL) in the presence of tBuOK at 140°C afforded a copolymer PEs1-stat-PCL, the structure of which was confirmed by ¹³C NMR spectroscopy and DSC thermal anal. A similar copolymer was also obtained by the polycondensation of dodecane-1,12-diol formate and di-Me isophthalate in the presence of PCL and tBuOK at 120°C under reduced pressure. In the experiment, the researchers used many compounds, for example, Dimethyl decanedioate (cas: 106-79-6COA of Formula: C12H22O4).

Dimethyl decanedioate (cas: 106-79-6) 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. 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. COA of Formula: C12H22O4

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

Versatile and sustainable alcoholysis of amides by a reusable CeO₂ catalyst was written by Siddiki, S. M. A. Hakim;Touchy, Abeda Sultana;Tamura, Masazumi;Shimizu, Ken-ichi. And the article was included in RSC Advances in 2014.Product Details of 19444-23-6 This article mentions the following:

CeO₂-catalyzed esterification between an equivalent molar ratio of primary amides and alcs. under neutral conditions, which provided the first versatile reusable catalytic system for direct alcoholysis of amides to esters with wider scope and 67 times higher turnover number (TON) than previous catalytic systems was reported. In the experiment, the researchers used many compounds, for example, Benzyl 2-hydroxy-2-methylpropanoate (cas: 19444-23-6Product Details of 19444-23-6).

Benzyl 2-hydroxy-2-methylpropanoate (cas: 19444-23-6) 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 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. Product Details of 19444-23-6

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

Modular access to substituted cyclohexanes with kinetic stereocontrol was written by Li, Yangyang;Li, Yuqiang;Shi, Hongjin;Wei, Hong;Li, Haoyang;Funes-Ardoiz, Ignacio;Yin, Guoyin. And the article was included in Science (Washington, DC, United States) in 2022.Synthetic Route of C10H16O2 This article mentions the following:

Substituted six-membered cyclic hydrocarbons are common constituents of biol. active compounds Although methods for the synthesis of thermodynamically favored, disubstituted cyclohexanes are well established, a reliable and modular protocol for the synthesis of their stereoisomers is still elusive. Herein, the authors report a general strategy for the modular synthesis of disubstituted cyclohexanes with excellent kinetic stereocontrol from readily accessible substituted methylenecyclohexanes by the implementation of chain-walking catalysis. Mechanistically, the initial introduction of a sterically demanding B ester group adjacent to the cyclohexane is key to guiding the stereochem. outcome. The synthetic potential of this methodol. was highlighted in late-stage modification of complex bioactive mols. and in comparison with current cross-coupling techniques. In the experiment, the researchers used many compounds, for example, Ethyl 4-methylenecyclohexanecarboxylate (cas: 145576-28-9Synthetic Route of C10H16O2).

Ethyl 4-methylenecyclohexanecarboxylate (cas: 145576-28-9) 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, including apples, durians, pears, bananas, pineapples, and strawberries. 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 C10H16O2

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

Nitrone/Imine Selectivity Switch in Base-Catalysed Reaction of Aryl Acetic Acid Esters with Nitrosoarenes: Joint Experimental and Computational Study was written by Volpe, Chiara;Meninno, Sara;Roselli, Angelo;Mancinelli, Michele;Mazzanti, Andrea;Lattanzi, Alessandra. And the article was included in Advanced Synthesis & Catalysis in 2020.Computed Properties of C7H8O2S This article mentions the following:

Herein the authors report a mild and diastereoselective access to ketonitrones by reacting easily available aryl acetic acid esters and other active methylene compounds, with nitrosoarenes under catalytic loading of 2-tert-butylimino-2-diethylamino-1,3-dimethylperhydro-1,3,2-diazaphosphorine (BEMP) at room temperature Depending on the substitution pattern and nature of the aryl moiety, a switch toward the formation of imines can be observed The mechanistic framework is put to scrutiny by exptl. and theor. studies, pointing to the formation of a nitroso aldol intermediate, whose fate toward one of the competing pathways, namely hydride transfer or elimination, would depend upon the NOH/CH_α relative acidities. In the experiment, the researchers used many compounds, for example, Methyl 2-thienylacetate (cas: 19432-68-9Computed Properties of C7H8O2S).

Methyl 2-thienylacetate (cas: 19432-68-9) 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. 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.Computed Properties of C7H8O2S

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

Cp*Co(III)-Catalyzed Regioselective Synthesis of Cyclopenta[b]carbazoles via Dual C(sp²)-H Functionalization of 1-(Pyridin-2-yl)-indoles with Diynes was written by Li, Qiuyun;Wang, Yanwei;Li, Bin;Wang, Baiquan. And the article was included in Organic Letters in 2018.HPLC of Formula: 17920-23-9 This article mentions the following:

Cp*Co(III)-catalyzed synthesis of cyclopenta[b]carbazoles I [ R¹ = H, 4-Me, 5-F, 6-O₂N, etc., R² = Ph, 4-MeC₆H₄, 2-thienyl, etc., R³ = Ph, 4-MeC₆H₄, 2-thienyl, etc., E = C(CO₂Et)₂, C(COMe)₂, C(COMe)(CO₂Et), etc.] from 1-(pyridin-2-yl)-indoles and diynes is developed. This reaction involves dual C-H activation of indoles and domino cyclizations with diynes and has excellent regioselectivity, high efficiency, a broad substrate scope, and tolerance for various functional groups. A series of cyclopenta[b]carbazole mol. scaffolds are obtained in good to excellent yields. In the experiment, the researchers used many compounds, for example, Diethyl 2-(prop-2-yn-1-yl)malonate (cas: 17920-23-9HPLC of Formula: 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. 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.HPLC of Formula: 17920-23-9

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

Comparative evaluation of the effects of natural and artificial inoculation on soybean paste fermentation was written by Zhang, Xiao;Shan, Tingting;Jia, Hang;Guo, Chunfeng;Wang, Zhouli;Yue, Tianli;Yuan, Yahong. And the article was included in LWT–Food Science and Technology in 2022.Synthetic Route of C6H12O2 This article mentions the following:

Soybean pastes fermented with natural (NIS) and artificial (AIS) inoculation were prepared to evaluate their fermentation characteristics, flavor compounds and microbial community compositions across an entire fermentation period. The results showed that the initial concentrations of free amino acids and aroma compounds were higher in NIS than in AIS, whereas it was opposite at the end of fermentation A larger variation of flavor compounds was observed in AIS, which was associated with higher level of microbial metabolism during AIS fermentation Penicillium and Tetragenococcus were the dominant microbial genera in NIS, while Aspergillus and Pediococcus were predominant in AIS. Correlation anal. of flavor compounds and microbial community dynamics during NIS and AIS fermentation revealed the specific role of microbial taxa in metabolite transformations. Pediococcus acidilactici could be the key microorganism strongly associated with 23 flavor compounds during AIS fermentation Further, Aspergillus oryzae and Pediococcus acidilactici were primarily linked to amino acid metabolism in AIS, whereas Penicillium and Yaniella were found associated with aroma compounds, Tetragenococcus_sp_JNURIC_D6 and Candida solani with that of organic acids in NIS. These findings provide substantial data on the development of flavor-enhancing fermentation starter culture and the better control of flavor ripening in soybean paste production In the experiment, the researchers used many compounds, for example, Methyl2-methylbutyrate (cas: 868-57-5Synthetic Route of C6H12O2).

Methyl2-methylbutyrate (cas: 868-57-5) 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. 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.Synthetic Route of C6H12O2

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

Improving the adhesion and properties in the material extrusion of polypropylene by blending with a polyolefin elastomer was written by Ho, Quang Binh;Kontopoulou, Marianna. And the article was included in Additive Manufacturing in 2022.SDS of cas: 6683-19-8 This article mentions the following:

We examine the effect of the thermorheol. properties of polypropylene (PP) on its material extrusion characteristics using a 3D printer. Rheol. characterization showed that PP with higher viscosity exhibited low extrusion rates during printing and suffered significant pressure drop. All PP grades tested suffered from warpage in the built structures, and debonding of individual strands under tensile deformation. Blending 20-40 wt% of an elastomeric ethylene-octene copolymer (EOC) with PP improved the flow properties and the interfacial fusion. Investigation into the morphol. and thermal properties of the blends showed that owing to its amorphous structure and low m.p., the EOC dispersed phase facilitated the material extrusion process, reduced warpage, and promoted fusion between the printed strands, improving the mech. properties. In the experiment, the researchers used many compounds, for example, 2,2-Bis(((3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl)oxy)methyl)propane-1,3-diyl bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate) (cas: 6683-19-8SDS of cas: 6683-19-8).

2,2-Bis(((3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl)oxy)methyl)propane-1,3-diyl bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate) (cas: 6683-19-8) 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.SDS of cas: 6683-19-8

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

Variation of floral volatiles and fragrance reveals the phylogenetic relationship among nine wild tree peony species was written by Luo, Xiaoning;Yuan, Meng;Li, Bingjie;Li, Chenyao;Zhang, Yanlong;Shi, Qianqian. And the article was included in Flavour and Fragrance Journal in 2020.COA of Formula: C9H10O3 This article mentions the following:

In present study, volatile components in petals of nine wild tree peony species were analyzed using a headspace solid-phase microextraction (SPME) technique coupled with gas chromatog.-mass spectrometry (GC-MS). A total of 124 volatile components were identified and clustered into five major chem. classes: terpenoids, alkanes, alcs., aldehydes, and ketones. Overall, combined with the sensory evaluation of nine wild tree peony species, Paeonia. ostii (P2) performed herbal and waxy attributes, mainly dominated by hexanal and pentadecane, resp. P rockii (P1), P qiui (P3), P jishanensis (P4), and P decomposita (P5) all possessed sweet attribute, which was pos. correlated with geraniol and citronellol. P delavayi (P9), P lutea (P7), P ludlowii (P8), and P potanini (P6) performed intense floral attribute dominated by linalool and trans-linalool oxide. Moreover, the results of principal component anal. (PCA) and hierarchical clustering anal. (HCA) showed P decomposita (P5), P qiui (P3), P rockii (P1), P jishanensis (P4), and P ostii (P2) in the Subsect. Vagiatae were mixed to form one cluster while P lutea (P7), P delavayi (P9), P ludlowii (P8), and P potanini (P6) in the Subsect. Delavayanae formed the other cluster. In terms of geog. distribution, the two clusters are consistent with the distribution of wild tree peony species. 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. 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. 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.COA of Formula: C9H10O3

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

Synthesis of E-3-alkoxy-4-hydroxy(alkoxy, acyloxy)phenylmethylene(2-hydroxyphenyl)amines was written by Dikusar, E. A.;Potkin, V. I.;Kozlov, N. G.. And the article was included in Russian Journal of General Chemistry in 2008.Electric Literature of C12H14O4 This article mentions the following:

Condensation of vanillin or vanillal derivatives with 2-aminophenol gave E isomers of azomethines (Schiff bases) containing hydroxy, ether, and ester groups. Under optimized conditions, high yields of E isomers of the Schiff bases were obtained and the cyclocondensation products were excluded. Quantum chem. calculations of some of the formation heat of E and Z configurations were carried out. In the experiment, the researchers used many compounds, for example, 4-Formyl-2-methoxyphenyl isobutyrate (cas: 20665-85-4Electric Literature of C12H14O4).

4-Formyl-2-methoxyphenyl isobutyrate (cas: 20665-85-4) 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. 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.Electric Literature of C12H14O4

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