Heterocyclic Building Block-benzofuran

Quality Control of (R)-Ethyl 4-chloro-3-hydroxybutanoate. 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 ethyl (R)-4-chloro-3-hydroxybutyrate by immobilized cells using amino acid-modified magnetic nanoparticles. Author is Lu, Yuan; Dai, Hongqian; Shi, Hanbing; Tang, Lan; Sun, Xingyuan; Ou, Zhimin.

Fe3O4-Arg was selected as the optimal carrier due to its high activity recovery of immobilized cells in the preparation of Fe3O4-Arg-Cells. The optimal immobilization conditions for the preparation of Fe3O4-Arg-Cells were 30°C, 4 h, pH 7, and 3 g dry yeast. The activity recovery of immobilized cells reached 76.8%. For a batch reduction in a shaker in an alternating magnetic field, Fe3O4-Arg-Cells were used as a catalyst to gain Et (R)-4-chloro-3-hydroxybutyrate ((R)-CHBE). For further improvement in reduction productivity, a continuous reduction in the magnetic fluidized bed reactor system (MFBRS) was completed. Under their optimal transformation conditions, it took 24 h for Fe3O4-Arg-Cells to complete the conversion of Et 4-chloro-3-oxobutanoate (COBE) (0.8553 mol/L) in the shaker and only 8 h for the batch reduction in an alternating magnetic field. Continuous reduction in MFBRS provided new ideas for the efficient production of (R)-CHBE; 1.5882 mol/L (10 mL) of COBE can be completely converted in 6 h. The conversion and enantiomeric excess (e.e.) of (R)-CHBE were 100% and above 99.9% resp., in the three reaction systems mentioned above.

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Benzofuran – Wikipedia,
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Application of 90866-33-4. So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic. Compound: (R)-Ethyl 4-chloro-3-hydroxybutanoate, is researched, Molecular C6H11ClO3, CAS is 90866-33-4, about Stereoselective reduction of ethyl 4-chloro-3-oxobutanoate by Escherichia coli transformant cells coexpressing the aldehyde reductase and glucose dehydrogenase genes.

The asym. reduction of Et 4-chloro-3-oxobutanoate to Et (R)-4-chloro-3-hydroxybutanoate (I) using E. coli cells, which coexpress both the aldehyde reductase gene from Sporobolomyces salmonicolor and the glucose dehydrogenase (GDH) gene from Bacillus megaterium as a catalyst was investigated. In an organic solvent-water 2-phase system, I formed in the organic phase amounted to 1610 mM (268 mg/mL), with a molar yield of 94.1% and an optical purity of 91.7% e.e. The calculated turnover number of NADP+ to I formed was 13,500 mol/mol. Since the use of E. coli JM109 cells harboring pKAR and pACGD as a catalyst is simple and does not require the addition of GDH or the isolation of the enzymes, it is highly advantageous for the practical synthesis of I.

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Pawelczyk, Ewaryst; Wachowiak, Roman published an article about the compound: Sodium 4-butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-ide( cas:129-18-0,SMILESS:O=C(N(C1=CC=CC=C1)N2C3=CC=CC=C3)[C-](CCCC)C2=O.[Na+] ).Quality Control of Sodium 4-butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-ide. 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:129-18-0) through the article.

The decomposition products formed when 20% aqueous alk. solutions of phenylbutazone Na salt were aged in sunlight were isolated and identified. The colored decomposition products were isolated by CHCl3 extraction; the colorless products were extracted with ether from the acidified solution The extracts were concentrated and separated by thin-layer chromatog. The 5 decomposition products isolated and identified with Ce(SO4)2 were (Rfvalue given) 4-hydroxyphenylbutazone (0.33), N-(2-carboxycaproyl)-hydrazobenzene (0.1), N-(2-carboxy-2-hydroxycaproyl)hydrazobenzene (0.55), trans-azobenzene (0.78), and cis-azobenzene (0.62).

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Benzofuran – Wikipedia,
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The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: Bis(2,5-dioxopyrrolidin-1-yl) O,O’-ethane-1,2-diyl disuccinate(SMILESS: O=C(ON1C(CCC1=O)=O)CCC(OCCOC(CCC(ON2C(CCC2=O)=O)=O)=O)=O,cas:70539-42-3) is researched.Application of 19777-66-3. The article 《The use of an in vitro sperm activation assay to detect chemically induced damage of human sperm nuclei》 in relation to this compound, is published in Reproductive Toxicology. Let’s take a look at the latest research on this compound (cas:70539-42-3).

We report that human sperm chem. damaged in vitro by treatment with a reversible crosslinker, ethylene glycol bis(sulfosuccinimidylsuccinate; SEGS), display abnormal chromatin decondensation when analyzed in the human sperm activation assay (HSAA). Less than 20% of SEGS-treated sperm fully decondensed, vs. 97% of control sperm. Chem. reversal of the crosslinks by treatment with 5 μM hydroxylamine restored full decondensation in 76% of treated sperm. These results demonstrate that chem. damaged sperm respond abnormally in the HSAA, and that chem. damage to sperm nuclei can be detected using the HSAA. Thus, there is potential for the HSAA to be used to detect chem. alterations of sperm nuclei from men exposed to environmental toxicants.

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Benzofuran – Wikipedia,
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Heterocyclic compounds can be divided into two categories: alicyclic heterocycles and aromatic heterocycles. Compounds whose heterocycles in the molecular skeleton cannot reflect aromaticity are called alicyclic heterocyclic compounds. Compound: 2923-28-6, is researched, Molecular CAgF3O3S, about Structure of copper(I) and silver(I) complexes with zwitterionic ligands derived from N-Heterocyclic Carbenes, the main research direction is copper silver bisdiisopropylphenylimidazolylidene complex preparation; crystal structure copper silver bisdiisopropylphenylimidazolylidene complex.Electric Literature of CAgF3O3S.

N-Heterocyclic Carbene (NHC) ligands have been instrumental in the synthesis of novel metal and main group-containing compounds, as well as their subsequent reactivity. Here, the coordination chem. of CS2 and PhNCS derivatives of the sterically encumbering 1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene (IPr) are studied. The reaction of IPr•CS2 with Cu(I) and Ag(I) salts results in the isolation of dinuclear complexes, [(IPr•CS2)2M2(THF)n][X]2, M = Cu, X = PF6, n = 4; M = Ag, X = OTf, n = 2. The 1:1 stoichiometric reaction of IPr•PhNCS with CuI results in to the formation of [(IPr•PhNCS)2Cu][CuI2]. All complexes were characterized by 1H, 13C, and IR spectroscopy and their solid-state structures determined by X-ray crystallog.

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Benzofuran – Wikipedia,
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The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: Bis(2,5-dioxopyrrolidin-1-yl) O,O’-ethane-1,2-diyl disuccinate, is researched, Molecular C18H20N2O12, CAS is 70539-42-3, about Cross-linked enzyme aggregates (CLEAs) of Penicillium notatum lipase enzyme with improved activity, stability and reusability characteristics, the main research direction is Penicillium lipase immobilization cross linked enzyme aggregate EGNHS; ethylene glycol bissuccinimidoylsuccinate CLEA lipase thermostability activity; Activity recovery; Cross-linked enzyme aggregates; Lipase; Pencillium notatum; Reusability; Thermo-stability.Computed Properties of C18H20N2O12.

Cross-linked enzyme aggregates (CLEAs) are considered as an effective tool for the immobilization of enzyme. In this study, Pencillium notatum lipase (PNL) was immobilized as carrier free cross-linked enzyme aggregates using glutaraldehyde (GLA) and Ethylene glycol-bis [succinic acid N-hydroxysuccinimide] (EG-NHS) as crosslinking agents. The optimal conditions for the synthesis of an efficient lipase CLEAs such as precipitant type, the nature and amount of crosslinking reagent, and crosslinking time were optimized. The recovered activities of CLEAs were considerably dependent on the concentration of GLA; however, the activity recovery was not severely affected by EG-NHS as a mild cross-linker. The EG-NHS aggregates displayed superior hydrolytic (52.08 ± 2.52%) and esterification (64.42%) activities as compared to GLA aggregates which showed 23.8 ± 1.86 and 34.54% of hydrolytic and esterification activity, resp. Morphol. anal. by fluorescence and scanning electron microscope revealed that EG-NHS aggregates were smaller in size with larger surface area compared to GLA aggregates. The pH optima of both types of CLEAs were displaced to slightly alk. region and higher temperature as compared to native enzyme. Highest enzyme activity of CLEAs was achieved at the pH of 9.0 and 42 °C temperature Moreover, a significant improvement in the thermal resistance was also recorded after immobilization. After ten reusability cycles in aqueous medium, GLA and EG-NHS cross-linked lipase CLEAs preserved 63.62% and 70.9% of their original activities, resp. The results suggest that this novel CLEA-lipase is potentially usable in many industrial applications.

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Benzofuran – Wikipedia,
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Computed Properties of CAgF3O3S. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: Silver(I) trifluoromethanesulfonate, is researched, Molecular CAgF3O3S, CAS is 2923-28-6, about Computational Insights into Different Mechanisms for Ag-, Cu-, and Pd-Catalyzed Cyclopropanation of Alkenes and Sulfonyl Hydrazones. Author is Wu, Yong; Cao, Shanshan; Douair, Iskander; Maron, Laurent; Bi, Xihe.

The [2+1] cycloaddition reaction of a metal carbene with an alkene can produce important cyclopropane products for synthetic intermediates, materials, and pharmaceutical applications. However, this reaction is often accompanied by side reactions, such as coupling and self-coupling, so that the yield of the cyclopropanation product of non-silver transition-metal carbenes and hindered alkenes is generally lower than 50%. To solve this problem, the addition of a low concentration of diazo compound (decomposition of sulfonyl hydrazones) to alkenes catalyzed by either CuOAc or PdCl2 was studied, but side reactions could still not be avoided. Interestingly, however, the yield of cyclopropanation products for such hindered alkenes were as high as 99% with AgOTf as a catalyst. To explain this unexpected phenomenon, reaction pathways have been computed for four different catalysts by using DFT. By combining the results of these calculations with those obtained exptl., it can be concluded that the efficiency of the silver catalyst is due to the barrierless concerted cycloaddition step and the kinetic inhibition of side reactions by a high concentration of alkene.

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Reference:
Benzofuran – Wikipedia,
Benzofuran | C8H6O – PubChem

Computed Properties of C6H11ClO3. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: (R)-Ethyl 4-chloro-3-hydroxybutanoate, is researched, Molecular C6H11ClO3, CAS is 90866-33-4, about Stereochemical control in microbial reduction. Part 13. A novel method to synthesize (L)-β-hydroxyl esters by the reduction with bakers’ yeast. Author is Nakamura, Kaoru; Kawai, Yasushi; Ohno, Atsuyoshi.

RCH2COCH2CO2R1 (R = R1 = Me; R = H, Cl, Me, CF3, R1 = Et) were reduced stereoselectively to (L)-RCH2CH(OH)CH2CO2R1 (enantiomeric excess of 80-94%) with baker’s yeast in the presence of ClCH2CO2Et (I). I works by inhibiting D-hydrogenases in the complex mixture of enzymes found in baker’s yeast. Other halo ester additives were investigated.

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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 Production of ethyl 4-chloro-3-hydroxybutanoate with resting cells of Sulfolobus solfataricus, the main research direction is chloroacetoacetate asym reduction Sulfolobus; chiral chlorohydroxybutanoate production Sulfolobus.Safety of (R)-Ethyl 4-chloro-3-hydroxybutanoate.

The thermophilic archaebacterium S. solfataricus converted Et 4-chloroacetoacetate to Et (R)-4-chloro-3-hydroxybutanoate in 97% yield, with 98% enantiomeric excess. Ten g wet cells were suspended in 100 mL pH 5 acetate buffer containing 5 mL propan-2-ol and 1 g (60 mM) substrate. After 24 h at 30°, the supernatant was extracted with ether and the product purified by HPLC. Concentrations of substrate >60 mM led to decreased yields.

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Reference:
Benzofuran – Wikipedia,
Benzofuran | C8H6O – PubChem

So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic.Imamura, Yorishige; Shigemori, Keiko; Ichibagase, Hisashi researched the compound: Sodium 4-butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-ide( cas:129-18-0 ).Recommanded Product: Sodium 4-butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-ide.They published the article 《Effects of simultaneous administration of drugs on absorption and excretion. V. Effect of phenylbutazone on antibacterial activity and distribution of sulfadimethoxine in rabbits》 about this compound( cas:129-18-0 ) in Chemical & Pharmaceutical Bulletin. Keywords: sulfadimethoxine bactericide pharmacokinetics phenylbutazone; sulfanilamide pharmacokinetics phenylbutazone; salicylate sulfanilamide pharmacokinetics. We’ll tell you more about this compound (cas:129-18-0).

The antibacterial activities of sulfadimethoxine [122-11-2] (25 mg/kg, i.v.) in rabbit plasma were significantly increased by concomitant injection of Na phenylbutazone (Na I) [129-18-0] (50 mg/kg, i.v.). The levels of unchanged sulfadimethoxine in rabbit plasma were significantly reduced by concomitant injection of phenylbutazone. These results suggest that phenylbutazone increases the transfer of sulfadimethoxine from plasma to tissues in rabbits.

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Reference:
Benzofuran – Wikipedia,
Benzofuran | C8H6O – PubChem