Tag: M.W:100-200

Application In Synthesis of (R)-Ethyl 4-chloro-3-hydroxybutanoate. Aromatic heterocyclic compounds can also be classified according to the number of heteroatoms contained in the heterocycle: single heteroatom, two heteroatoms, three heteroatoms and four heteroatoms. Compound: (R)-Ethyl 4-chloro-3-hydroxybutanoate, is researched, Molecular C6H11ClO3, CAS is 90866-33-4, about Cloning, expression, and characterization of an (R)-specific alcohol dehydrogenase from Lactobacillus kefir. Author is Weckbecker, Andrea; Hummel, Werner.

Lactobacillus kefir DSM 20587 produces an (R)-specific NADP-dependent alc. dehydrogenase (ADH) with a broad substrate specificity. The gene of this ADH was isolated and the complete nucleotide sequence determined The adh gene comprises 759 bp and encodes a protein of 252 amino acids with a calculated mol. weight of 26 781 Da. The deduced amino acid sequence indicated a high degree of similarity to short-chain dehydrogenases. After cloning and expression in Escherichia coli the enzyme was purified and characterized. For the reduction of acetophenone the specific activity of the homogeneous recombinant ADH was 558 U mg-1. The enzyme shows its maximum activity at 50°C while the pH optimum was at pH 7.0. In order to demonstrate its preparative application, purified ADH was used for the stereoselective reduction of several aliphatic and aromatic ketones as well as β-keto esters. Glucose dehydrogenase was added for the regeneration of NADPH. All prochiral ketones were stereoselectively reduced to the corresponding alcs. with >99% ee and in the case of diketones >99% de.

Different reactions of this compound((R)-Ethyl 4-chloro-3-hydroxybutanoate)Application In Synthesis of (R)-Ethyl 4-chloro-3-hydroxybutanoate require different conditions, so the reaction conditions are very important.

Reference:
Benzofuran – Wikipedia,
Benzofuran | C8H6O – PubChem

COA of Formula: C6H11ClO3. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: (R)-Ethyl 4-chloro-3-hydroxybutanoate, is researched, Molecular C6H11ClO3, CAS is 90866-33-4, about How cell physiology affects enantioselectivity of the biotransformation of ethyl 4-chloro-acetoacetate with Saccharomyces cerevisiae. Author is Bertau, M..

Saccharomyces cerevisiae (baker’s yeast) reduces Et 4-chloro-acetoacetate enantioselectively to (R)- or (S)-Et 4-chloro-3-hydroxybutyrate depending on the reaction conditions and the physiol. state of the yeast cells. The (S)-enantiomer is obtained under batch conditions with resting cells (55%, enantiomeric excess [ee]), and 4-chloro-acetate fed-batch actively metabolizing yeast affords the (R)-isomer (54%, ee). The enantioselective reduction of the substrate is accompanied by competing enzyme actions. Of the metabolites formed from the substrate, chloroacetone and the target compound (R)-Et 4-chloro-3-hydroxybutyrate emerged as most important effectors of enantioselectivity of the microbial reduction As a minor side-reaction, an aerobic reductive dehalogenation of the substrate was observed The unusual high enantiopurity of the dehalo-product (S)-Et 3-hydroxybutyrate confirms the stereo-directing effect of chloroacetone impressively. Hence, with S. cerevisiae either enantiomer can be obtained by variation of reaction conditions. The yeast further turned out to be a promising biocatalyst for dehalogenations.

Different reactions of this compound((R)-Ethyl 4-chloro-3-hydroxybutanoate)COA of Formula: C6H11ClO3 require different conditions, so the reaction conditions are very important.

Reference:
Benzofuran – Wikipedia,
Benzofuran | C8H6O – PubChem

The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: (R)-Ethyl 4-chloro-3-hydroxybutanoate, is researched, Molecular C6H11ClO3, CAS is 90866-33-4, about A recombinant ketoreductase tool-box. Assessing the substrate selectivity and stereoselectivity toward the reduction of β-ketoesters, the main research direction is ketoreductase reduction stereoselective beta keto ester.Recommanded Product: (R)-Ethyl 4-chloro-3-hydroxybutanoate.

The substrate selectivity and stereoselectivity of a series of ketoreductases were evaluated toward the reduction of two sets of β-ketoesters. Both the structural variety at β-position and the substituent at α-position greatly affected the activity and stereoselectivity of these ketoreductases. For the first set of β-ketoesters, at least one ketoreductase was found that catalyzed the formation of either (D) or (L) enantiomer of β-hydroxyesters from each substrate with high optical purity, with the only exception of Et (D)-3-hydroxy-3-phenylpropionate. For the second set of β-ketoesters with α-substituents, the situation is more complex. More commonly, a ketoreductase was found that formed one of the four diastereomers in optically pure form, with only a few cases in which enzymes could be found that formed two or more of the diastereomers in high optical purity. The continued development of new, more diverse ketoreductases will create the capability to produce a wider range of single diastereomers of 2-substituted-3-hydroxy acids and their derivatives

Different reactions of this compound((R)-Ethyl 4-chloro-3-hydroxybutanoate)Recommanded Product: (R)-Ethyl 4-chloro-3-hydroxybutanoate require different conditions, so the reaction conditions are very important.

Reference:
Benzofuran – Wikipedia,
Benzofuran | C8H6O – PubChem

Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 90866-33-4, is researched, SMILESS is O=C(OCC)C[C@@H](O)CCl, Molecular C6H11ClO3Journal, Industrial & Engineering Chemistry Research called A Complex Process of Asymmetric Synthesis of β-Hydroxy Ester by Baker’s Yeast Accompanied by Resin Adsorption, Author is Yang, Zhong-Hua; Yao, Shan-Jing; Guan, Yi-Xin, the main research direction is bakers yeast asym reduction resin adsorption.SDS of cas: 90866-33-4.

Asym. reduction of β-oxo ester to chiral β-hydroxy ester by yeast cells is one of the most promising routes for synthesis of chiral pharmaceutical intermediates. But the stereoselectivity and initial substrate concentration of this asym. reduction reaction are usually unsatisfactory. When asym. reduction of Et 4-chloro-3-oxobutanoate to chiral Et 4-chloro-3-hydroxybutanoate by baker’s yeast was chosen as the model reaction, it was investigated to improve the stereoselectivity and initial substrate concentration of this asym. reduction reaction by introducing resin to slowly release the substrate and in situ adsorb the product. The experiments indicated that the stereoselectivity could be promoted from about 78% to 95% with this technique, and the initial substrate concentration could be increased from 70 to 150 mmol/L, but the yield and stereoselectivity were still satisfactory with introducing resin.

Different reactions of this compound((R)-Ethyl 4-chloro-3-hydroxybutanoate)SDS of cas: 90866-33-4 require different conditions, so the reaction conditions are very important.

Reference:
Benzofuran – Wikipedia,
Benzofuran | C8H6O – PubChem

The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: (R)-Ethyl 4-chloro-3-hydroxybutanoate( cas:90866-33-4 ) is researched.COA of Formula: C6H11ClO3.Chung, Sunho; Hwang, Yunesahng published the article 《Stereoselective hydrolysis of racemic ethyl 4-chloro-3-hydroxybutyrate by a lipase》 about this compound( cas:90866-33-4 ) in Biocatalysis and Biotransformation. Keywords: lipase stereoselective hydrolysis ethyl chlorohydroxybutyrate. Let’s learn more about this compound (cas:90866-33-4).

The stereoselective hydrolysis of racemic Et 4-chloro-3-hydroxybutyrate (ECHB) was performed by using Novozym 435 lipase in an aqueous phase. It was found that racemic ECHB was hydrolyzed to (R)-ECHB and (S)-3-hydroxy-gamma-butyrolactone (HGBL) via (S)-4-chloro-3-hydroxybutyric acid. From this result, (R)-ECHB (99%ee) was produced in a good yield on a preparative scale.

The article 《Stereoselective hydrolysis of racemic ethyl 4-chloro-3-hydroxybutyrate by a lipase》 also mentions many details about this compound(90866-33-4)COA of Formula: C6H11ClO3, you can pay attention to it, because details determine success or failure

Reference:
Benzofuran – Wikipedia,
Benzofuran | C8H6O – PubChem

In general, if the atoms that make up the ring contain heteroatoms, such rings become heterocycles, and organic compounds containing heterocycles are called heterocyclic compounds. An article called Design, synthesis and antimycobacterial activity of novel nitrobenzamide derivatives, published in 2019-02-28, which mentions a compound: 3939-12-6, Name is 6-Fluoronicotinonitrile, Molecular C6H3FN2, SDS of cas: 3939-12-6.

A series of nitrobenzamide derivatives containing N-benzyl or N-pyridinylmethyl moieties I [R = H, 5-CF3, 5-F, etc.; R1 = F, 4-chloro-1-piperidyl, 4-(4-fluorophenyl)piperazin-1-yl, etc.; X = Y = CH; X = CH, Y = N; X = N, Y = CH] was designed and synthesized as new anti-tubercular agents. Many of synthesized compounds I exhibited potent in vitro antitubercular activity. Four compounds I [R = 5-NO2; R1 = 4-MeO, 4-(trifluoromethyl)-1-piperidyl, 4-chloro-1-piperidyl, 4-(4-fluorophenyl)piperazin-1-yl] had not only the same excellent MIC values against both drug-sensitive MTB strain H37Rv and two drug-resistant clin. isolates as PBTZ169 and the lead I [R = 5-NO2; R1 = 4-(trifluoromethyl)-1-piperidyl; X = Y = CH], but also acceptable safety indexes.

The article 《Design, synthesis and antimycobacterial activity of novel nitrobenzamide derivatives》 also mentions many details about this compound(3939-12-6)SDS of cas: 3939-12-6, you can pay attention to it, because details determine success or failure

Reference:
Benzofuran – Wikipedia,
Benzofuran | C8H6O – PubChem

Liang, Dong-Dong; Guo, Shen-Yi; Tong, Shuo; Wang, Mei-Xiang published an article about the compound: 6-Fluoronicotinonitrile( cas:3939-12-6,SMILESS:N#CC1=CC=C(F)N=C1 ).Reference of 6-Fluoronicotinonitrile. Aromatic heterocyclic compounds can be classified according to the number of heteroatoms or the size of the ring. The authors also want to convey more information about this compound (cas:3939-12-6) through the article.

A practical synthetic method has been developed for polyfunctionalized biaryls e.g., I, e.g., II based on a facile one-pot nucleophilic aromatic substitution (SNAr) reaction and [5,5]- or [3,3]-sigmatropic rearrangement reaction cascade. Under mild basic conditions, N-arylhydroxylamines ArN(R)OH (R = Bn, Me, Boc; Ar = Ph, 6-fluoropyridin-2-yl, 3,5-dichlorophenyl, etc.) reacted with o-activated fluoro (het)arenes R1F (R1 = 2-nitrophenyl, 6-fluoropyridin-2-yl, 4-cyanophenyl, etc.) to form N,O-diarylhydroxylamine intermediates which underwent spontaneously selective [5,5]-sigmatropic rearrangement reaction to produce diverse functionalized 4-amino-4′-hydroxy-1,1′-biaryls e.g., I. A sequential SNAr reaction and [3,3]-sigmatropic rearrangement took place between N-arylhydroxylamines and 2-fluoropyridine derivatives or 4-fluorobenzonitrile to afford functionalized 2-amino-2′-hydroxy-1,1′-biaryls e.g., II. As invaluable and unique building blocks, the resulting biaryls were applied in the straightforward synthesis of N2, O2-coronarene, carbazole, aza- and diaza carbazole derivatives e.g, III.

The article 《Polyfunctionalized biaryls accessed by a one-pot nucleophilic aromatic substitution and sigmatropic rearrangement reaction cascade under mild conditions》 also mentions many details about this compound(3939-12-6)Reference of 6-Fluoronicotinonitrile, you can pay attention to it, because details determine success or failure

Reference:
Benzofuran – Wikipedia,
Benzofuran | C8H6O – PubChem

Quality Control of 6-Fluoronicotinonitrile. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 6-Fluoronicotinonitrile, is researched, Molecular C6H3FN2, CAS is 3939-12-6, about Discovery of Aminobenzyloxyarylamides as κ Opioid Receptor Selective Antagonists: Application to Preclinical Development of a κ Opioid Receptor Antagonist Receptor Occupancy Tracer. Author is Mitch, Charles H.; Quimby, Steven J.; Diaz, Nuria; Pedregal, Concepcion; de la Torre, Marta G.; Jimenez, Alma; Shi, Qing; Canada, Emily J.; Kahl, Steven D.; Statnick, Michael A.; McKinzie, David L.; Benesh, Dana R.; Rash, Karen S.; Barth, Vanessa N..

Arylphenylpyrrolidinylmethylphenoxybenzamides were found to have high affinity and selectivity for κ opioid receptors. On the basis of receptor binding assays in Chinese hamster ovary (CHO) cells expressing cloned human opioid receptors, (S)-3-fluoro-4-(4-((2-(3-fluorophenyl)pyrrolidin-1-yl)methyl)phenoxy)benzamide (25) had a Ki = 0.565 nM for κ opioid receptor binding while having a Ki = 35.8 nM for μ opioid receptors and a Ki = 211 nM for δ opioid receptor binding. Compound 25 was also a potent antagonist of κ opioid receptors when tested in vitro using a [35S]-guanosine 5’O-[3-thiotriphosphate] ([35S]GTP-γ-S) functional assay in CHO cells expressing cloned human opioid receptors. Compounds were also evaluated for potential use as receptor occupancy tracers. Tracer evaluation was done in vivo, using liquid chromatog.-tandem mass spectrometry (LC/MS/MS) methods, precluding the need for radiolabeling. (S)-3-Chloro-4-(4-((2-(pyridine-3-yl)pyrrolidin-1-yl)methyl)phenoxy)benzamide (18) was found to have favorable properties for a tracer for receptor occupancy, including good specific vs. nonspecific binding and good brain uptake.

After consulting a lot of data, we found that this compound(3939-12-6)Quality Control of 6-Fluoronicotinonitrile can be used in many types of reactions. And in most cases, this compound has more advantages.

Reference:
Benzofuran – Wikipedia,
Benzofuran | C8H6O – PubChem

SDS of cas: 134434-31-4. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: Isoquinolin-3-ol, is researched, Molecular C9H7NO, CAS is 134434-31-4, about Resonance energies and tautomerism of substituted aromatic heterocycles and their benzo derivatives. Author is Yang, Pipeng; Duan, Wengui.

The recently developed quantified resonance theory (QRT) has been applied to substituted aromatic five- and six-membered heterocycles and their benzo derivatives The calculated resonance energy differences ΔRE between tautomeric forms agree with those estimated from tautomeric equilibrium data for the 2- and 4-pyridone, 2-quinolone and 1-isoquinolone series. For tautomerism of extensive heteroaromatic compounds in solution, the ΔRE and the differences in heats of atomization ΔΔH3 calculated by QRT can be used to rationalize and predict the predominant tautomer and the shifting trend in the equilibrium for a series of similar compounds

After consulting a lot of data, we found that this compound(134434-31-4)SDS of cas: 134434-31-4 can be used in many types of reactions. And in most cases, this compound has more advantages.

Reference:
Benzofuran – Wikipedia,
Benzofuran | C8H6O – PubChem

Category: benzofurans. The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of heteroatoms. Compound: (R)-Ethyl 4-chloro-3-hydroxybutanoate, is researched, Molecular C6H11ClO3, CAS is 90866-33-4, about Synthesis of 4-Hydroxy-2-oxo-1-pyrrolidineacetamide. Author is Chen, Xue; Lei, Yingjie; Ding, Mei; Bi, Ye.

Asym. reduction of Et 4-chloro-3-oxobutanoate to the title compound (i.e. (R)-oxyracetam) catalyzed by Saccharomyces cerevisiae and followed with the condensation of 2-amino-acetamide in alk. solution was investigated. The target compound was obtained in 52.7% yield and confirmed by sp. rotation and 1H NMR.

After consulting a lot of data, we found that this compound(90866-33-4)Category: benzofurans can be used in many types of reactions. And in most cases, this compound has more advantages.

Reference:
Benzofuran – Wikipedia,
Benzofuran | C8H6O – PubChem