Month: October 2022

Uno, Hitoshi’s team published research in Chemical & Pharmaceutical Bulletin in 1978 | CAS: 65685-50-9

5-Bromobenzo[d]isoxazol-3(2H)-one(cas: 65685-50-9) belongs to benzisoxazole.The benzisoxazole analogs represent one of the privileged structures in medicinal chemistry and there has been an increasing number of studies on benzisoxazole-containing compounds. The unique benzisoxazole scaffold also exhibits an impressive potential as antimicrobial, anticancer, anti-inflammatory, anti-glycation agents and so on.Recommanded Product: 5-Bromobenzo[d]isoxazol-3(2H)-one

Uno, Hitoshi; Kurokawa, Mikio published their research in Chemical & Pharmaceutical Bulletin on February 28 ,1978. The article was titled 《Studies on 3-substituted 1,2-benzisoxazole derivatives. IV. Rearrangement of N-substituted 2H-1,2-benzisoxazolin-3-one to 2-substituted 2H-1,3-benzoxazin-4-one》.Recommanded Product: 5-Bromobenzo[d]isoxazol-3(2H)-one The article contains the following contents:

The base catalyzed ring expansion of 2-substituted 2H-1,2-benzisoxazolin-3-ones I (R = Ph, CO2Me, COPh, COMe, CCH, R1 = H; R = R1 = Ph; R = CO2Et, R1 = Me) to 2-substituted 2H-1,3-benzoxazin-4-ones II occurred during the alkylation of hydroxy-1,2-benzisoxazole. In the part of experimental materials, we found many familiar compounds, such as 5-Bromobenzo[d]isoxazol-3(2H)-one(cas: 65685-50-9Recommanded Product: 5-Bromobenzo[d]isoxazol-3(2H)-one)

5-Bromobenzo[d]isoxazol-3(2H)-one(cas: 65685-50-9) belongs to benzisoxazole.The benzisoxazole analogs represent one of the privileged structures in medicinal chemistry and there has been an increasing number of studies on benzisoxazole-containing compounds. The unique benzisoxazole scaffold also exhibits an impressive potential as antimicrobial, anticancer, anti-inflammatory, anti-glycation agents and so on.Recommanded Product: 5-Bromobenzo[d]isoxazol-3(2H)-one

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

Kalkote, Uttam R.’s team published research in Australian Journal of Chemistry in 1977 | CAS: 65685-50-9

5-Bromobenzo[d]isoxazol-3(2H)-one(cas: 65685-50-9) belongs to benzisoxazole.Computed Properties of C7H4BrNO2The benzisoxazole analogs represent one of the privileged structures in medicinal chemistry and there has been an increasing number of studies on benzisoxazole-containing compounds. The unique benzisoxazole scaffold also exhibits an impressive potential as antimicrobial, anticancer, anti-inflammatory, anti-glycation agents and so on.

《New synthesis of 1,2-benzisoxazole derivatives》 was written by Kalkote, Uttam R.; Goswami, Das D.. Computed Properties of C7H4BrNO2 And the article was included in Australian Journal of Chemistry on August 31 ,1977. The article conveys some information:

N-Phenylsalicylohydroxamic acids (I, R = H, Cl, Br, I) were treated with SOCl2 in the presence of pyridine in anhydrous ether at 0° to give II (via III). IV (R3 = H, OH, Me; R2 = H, Me, Cl, Br, etc.) were similarly treated to give V. In addition to this study using 5-Bromobenzo[d]isoxazol-3(2H)-one, there are many other studies that have used 5-Bromobenzo[d]isoxazol-3(2H)-one(cas: 65685-50-9Computed Properties of C7H4BrNO2) was used in this study.

5-Bromobenzo[d]isoxazol-3(2H)-one(cas: 65685-50-9) belongs to benzisoxazole.Computed Properties of C7H4BrNO2The benzisoxazole analogs represent one of the privileged structures in medicinal chemistry and there has been an increasing number of studies on benzisoxazole-containing compounds. The unique benzisoxazole scaffold also exhibits an impressive potential as antimicrobial, anticancer, anti-inflammatory, anti-glycation agents and so on.

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

Domagalina, Eugenia’s team published research in Polish Journal of Pharmacology and Pharmacy in 1978 | CAS: 65685-50-9

5-Bromobenzo[d]isoxazol-3(2H)-one(cas: 65685-50-9) belongs to benzisoxazole.The benzisoxazole analogs represent one of the privileged structures in medicinal chemistry and there has been an increasing number of studies on benzisoxazole-containing compounds. The unique benzisoxazole scaffold also exhibits an impressive potential as antimicrobial, anticancer, anti-inflammatory, anti-glycation agents and so on.Computed Properties of C7H4BrNO2

Computed Properties of C7H4BrNO2On October 31, 1978 ,《Acylation of benzoxazolin-2-ones and 3-hydroxy-1,2-benzisoxazoles》 appeared in Polish Journal of Pharmacology and Pharmacy. The author of the article were Domagalina, Eugenia; Slawik, Tomasz. The article conveys some information:

5-Bromo- and 5,7-dibromobenzoxazolin-2-ones were acylated with Ac2O, R1C6H4COCl (R1 = H, 2-Cl, 4-NO2), and R2O2CCl (R2 = Me, Et) to give primarily N-acylated products I (Brn = 5-Br, 5,7-Br2; R3 = Me, R1C6H4, R2O). The isomeric brominated 3-hydroxy-1,2-benzisoxazoles were predominantly O-acylated to give II (R3 the same as above). Exceptions were benzoxazole III and benzisoxazolinones IV (Brn = H, 5-Br, 5,7-Br2; R3 = R2O). IV (Brn = H, 5-Br; R3 = EtO) were the strongest central nervous system depressants and they also showed anticonvulsant activity. 5-Bromo-3-hydroxy-1,2-benzisoxazole and IV (Brn = H, R3 = EtO) had significant analgesic activity. In the experiment, the researchers used many compounds, for example, 5-Bromobenzo[d]isoxazol-3(2H)-one(cas: 65685-50-9Computed Properties of C7H4BrNO2)

5-Bromobenzo[d]isoxazol-3(2H)-one(cas: 65685-50-9) belongs to benzisoxazole.The benzisoxazole analogs represent one of the privileged structures in medicinal chemistry and there has been an increasing number of studies on benzisoxazole-containing compounds. The unique benzisoxazole scaffold also exhibits an impressive potential as antimicrobial, anticancer, anti-inflammatory, anti-glycation agents and so on.Computed Properties of C7H4BrNO2

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

Kiran, B. Ravi’s team published research in International Journal of Pharmaceutical Sciences and Research in 2015 | CAS: 65685-50-9

5-Bromobenzo[d]isoxazol-3(2H)-one(cas: 65685-50-9) belongs to benzisoxazole.The benzisoxazole analogs represent one of the privileged structures in medicinal chemistry and there has been an increasing number of studies on benzisoxazole-containing compounds. Reference of 5-Bromobenzo[d]isoxazol-3(2H)-one The unique benzisoxazole scaffold also exhibits an impressive potential as antimicrobial, anticancer, anti-inflammatory, anti-glycation agents and so on.

《Synthesis, evaluation of analgesic and anti-inflammatory activities of substituted 1,2-benzoxazolone and 3-chloro-1,2-benzoxazole derivatives》 was published in International Journal of Pharmaceutical Sciences and Research in 2015. These research results belong to Kiran, B. Ravi; Vijayakumar, G. R.; Bharath, H. S.; Sivakumar, R.; Sindhu, S.; Prakash, M. Shet. Reference of 5-Bromobenzo[d]isoxazol-3(2H)-one The article mentions the following:

Herein method for the synthesis of substituted 1,2-benzoxazolone I [R1 = H, NO2, Br; R2 = H, Me, F; R3 = H, NO2, F] and 3-chloro-1,2-benzoxazole derivatives II [R1 = H, NO2, Br; R2 = H, Me, F; R3 = H, NO2, F] was described. A new scheme was adapted for the construction of 1,2-benzoxazole ring from salicylic acid and its derivatives which leads to the formation of series of methyl-2-hydroxy-5-bromo benzoate, Me 2-hydroxybenzoates and N,2-dihydroxybenzamides substituted title compounds Synthesized compounds were characterized by IR, 1H-NMR and Mass spectral anal. Spectral data confirmed the compounds formation. Final compounds I and II were screened for their in-vivo analgesic activity by acetic acid induced writhing method in rats and anti-inflammatory activity by carrageenan-induced paw edema model. Among the compounds screened compound I [R1, R2, R3 = H] and compound II [R1, R2 = H; R3 = NO2] showed good analgesic activity of about 45% (writhing mean 8.9) and 54% (writhing mean 7.5) inhibition resp. at 5 mg/Kg po dosage. Compounds I [R1 = NO2; R2, R3 = H] and II [R1 = NO2; R2, R3 = H] (both having inhibition edema of 66.1%) showed significant anti-inflammatory activity. Other derivatives exhibited moderate to good analgesic and anti-inflammatory activities. The experimental process involved the reaction of 5-Bromobenzo[d]isoxazol-3(2H)-one(cas: 65685-50-9Reference of 5-Bromobenzo[d]isoxazol-3(2H)-one)

5-Bromobenzo[d]isoxazol-3(2H)-one(cas: 65685-50-9) belongs to benzisoxazole.The benzisoxazole analogs represent one of the privileged structures in medicinal chemistry and there has been an increasing number of studies on benzisoxazole-containing compounds. Reference of 5-Bromobenzo[d]isoxazol-3(2H)-one The unique benzisoxazole scaffold also exhibits an impressive potential as antimicrobial, anticancer, anti-inflammatory, anti-glycation agents and so on.

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

Rojas, Juan J’s team published research in Nature Chemistry in 2022-02-28 | 84163-77-9

Nature Chemistry published new progress about Activation energy. 84163-77-9 belongs to class benzisoxazole, and the molecular formula is C12H13FN2O, Safety of 6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole.

Rojas, Juan J.; Croft, Rosemary A.; Sterling, Alistair J.; Briggs, Edward L.; Antermite, Daniele; Schmitt, Daniel C.; Blagojevic, Luka; Haycock, Peter; White, Andrew J. P.; Duarte, Fernanda; Choi, Chulho; Mousseau, James J.; Bull, James A. published the artcile< Amino-oxetanes as amide isosteres by an alternative defluorosulfonylative coupling of sulfonyl fluorides>, Safety of 6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole, the main research area is sulfonyl fluoride amine defluorosulfonylative coupling; amino oxetane chemoselective preparation.

A class of reactions for sulfonyl fluorides to form amino-oxetanes by an alternative pathway to the established SuFEx (sulfonyl-fluoride exchange) click reactivity. A defluorosulfonylation forms planar oxetane carbocations simply on warming. This disconnection, comparable to a typical amidation, will allow the application of vast existing amine libraries. The reaction was tolerant to a wide range of polar functionalities and was suitable for array formats. Ten oxetane analogs of bioactive benzamides and marketed drugs were prepared Kinetic and computational studied support the formation of an oxetane carbocation as the rate-determining step, followed by a chemoselective nucleophile coupling step.

Nature Chemistry published new progress about Activation energy. 84163-77-9 belongs to class benzisoxazole, and the molecular formula is C12H13FN2O, Safety of 6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole.

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

Johansen, Martin B’s team published research in Organic Letters in 2020-06-05 | 84163-77-9

Organic Letters published new progress about Aromatic alcohols Role: RCT (Reactant), RACT (Reactant or Reagent). 84163-77-9 belongs to class benzisoxazole, and the molecular formula is C12H13FN2O, Recommanded Product: 6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole.

Johansen, Martin B.; Gedde, Oliver R.; Mayer, Thea S.; Skrydstrup, Troels published the artcile< Access to Aryl and Heteroaryl Trifluoromethyl Ketones from Aryl Bromides and Fluorosulfates with Stoichiometric CO>, Recommanded Product: 6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole, the main research area is aromatic trifluoromethyl ketone preparation; aryl bromide trimethyltrifluoromethyl silane carbon monoxide monotrifluoromethylation palladium catalyst; fluorosulfate preparation trimethyltrifluoromethyl silane carbon monoxide monotrifluoromethylation palladium catalyst.

A sequential one-pot preparation of aromatic trifluoromethyl ketones RC(O)CF3 (R = 3,5-dimethoxyphenyl, quinolin-3-yl, 4-adamantylphenyl, etc.) starting from readily accessible aryl bromides/fluorosulfates RX (X = Br, OS(O)2F), the latter easily prepared from the corresponding phenols ROH were reported. The methodol. utilizes low pressure carbon monoxide generated ex situ from COgen to generate Weinreb amides as reactive intermediates that undergo monotrifluoromethylation affording the corresponding aromatic trifluoromethyl ketones (TFMKs) in good yields. The stoichiometric use of CO enables the possibility for accessing 13C-isotopically labeled TFMK by switching to the use of 13COgen.

Organic Letters published new progress about Aromatic alcohols Role: RCT (Reactant), RACT (Reactant or Reagent). 84163-77-9 belongs to class benzisoxazole, and the molecular formula is C12H13FN2O, Recommanded Product: 6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole.

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

Favalli, Nicholas’s team published research in Bioorganic & Medicinal Chemistry in 2021-07-01 | 84163-77-9

Bioorganic & Medicinal Chemistry published new progress about Boronic acids Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 84163-77-9 belongs to class benzisoxazole, and the molecular formula is C12H13FN2O, Category: benzisoxazole.

Favalli, Nicholas; Bassi, Gabriele; Bianchi, Davide; Scheuermann, Jorg; Neri, Dario published the artcile< Large screening of DNA-compatible reaction conditions for Suzuki and Sonogashira cross-coupling reactions and for reverse amide bond formation>, Category: benzisoxazole, the main research area is alkyne pinacol borane boronic acid DNA synthesis carboxylic acid; Suzuki Sonogashira cross coupling reverse amide formation DNA compatible; DNA-compatible reactions; DNA-encoded libraries; Reverse amide bond formation; Sonogashira cross-coupling; Suzuki cross-coupling.

Progress in DNA-encoded chem. library synthesis and screening crucially relies on the availability of DNA-compatible reactions, which proceed with high yields and excellent purity for a large number of possible building blocks. In the past, exptl. conditions have been presented for the execution of Suzuki and Sonogashira cross-coupling reactions on-DNA. In this article, our aim was to optimize Suzuki and Sonogashira reactions, comparing our results to previously published procedures. We have tested the performance of improved conditions using 606 building blocks (including boronic acids, pinacol boranes and terminal alkynes), achieving >70% conversion for 84% of the tested mols. Moreover, we describe efficient exptl. conditions for the on-DNA synthesis of amide bonds, starting from DNA derivatives carrying a carboxylic acid moiety and 300 primary, secondary and aromatic amines, as amide bonds are frequently found in DNA-encoded chem. libraries thanks to their excellent DNA compatibility.

Bioorganic & Medicinal Chemistry published new progress about Boronic acids Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 84163-77-9 belongs to class benzisoxazole, and the molecular formula is C12H13FN2O, Category: benzisoxazole.

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

Wang, Jin-Lin’s team published research in Organic Letters in 2022-01-14 | 84163-77-9

Organic Letters published new progress about Amino amides Role: PRP (Properties), RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 84163-77-9 belongs to class benzisoxazole, and the molecular formula is C12H13FN2O, Safety of 6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole.

Wang, Jin-Lin; Liu, Mei-Ling; Zou, Jian-Yu; Sun, Wen-Hui; Liu, Xue-Yuan published the artcile< Copper-Catalyzed Aminoarylation of Alkenes via Aminyl Radical Addition and Aryl Migration>, Safety of 6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole, the main research area is amino amide preparation; alkene hydroxylamine copper catalyst aminoarylation.

A new strategy for aminoarylation of alkenes by copper-catalyzed Smiles rearrangement using O-benzoylhydroxylamines as the amine reagent was described.. This method affords various β-amino amide derivatives possessing a quaternary carbon center with wide functional group tolerance and high regioselectivity. The mechanistic studies indicate that the transformation can involve aminyl radical intermediates under acid-free condition.

Organic Letters published new progress about Amino amides Role: PRP (Properties), RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 84163-77-9 belongs to class benzisoxazole, and the molecular formula is C12H13FN2O, Safety of 6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole.

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

Zhu, Chen’s team published research in European Journal of Medicinal Chemistry in 2020-05-01 | 84163-77-9

European Journal of Medicinal Chemistry published new progress about 5-HT2A antagonists. 84163-77-9 belongs to class benzisoxazole, and the molecular formula is C12H13FN2O, Product Details of C12H13FN2O.

Zhu, Chen; Li, Xinwei; Zhao, Bangyi; Peng, Weiqing; Li, Wei; Fu, Wei published the artcile< Discovery of aryl-piperidine derivatives as potential antipsychotic agents using molecular hybridization strategy>, Product Details of C12H13FN2O, the main research area is hybridization aryl piperidine derivative preparation antipsychotic; 5-HT(2A) receptor antagonist; Antipsychotic; D(2) receptor antagonist; Molecular hybridization; Multi-target strategy.

Schizophrenia is a chronic, disabling mental disorder that affects about one percent of world’s population. Drugs acting on multiple targets have been demonstrated to provide superior efficacy in schizophrenia than agents acting on single target. In this study, based on FW01, a selective potent 5-HT1A receptor agonist discovered via dynamic pharmacophore-based virtual screening, mol. hybridization strategy was employed to optimize its in vitro activity over D2 and 5-HT2A receptors. The optimized compound 9f was found to show dual potent D2 and 5-HT2A receptors antagonistic activity. In addition, compound 9f showed good in vivo metabolic stability with t1/2 of 2 h in ICR mice and good capability to penetrate the blood-brain barrier with Kp value of 4.03. These results demonstrated that the dual D2 and 5-HT1A receptor antagonist 9f could serve as a promising lead compound to discover potent antipsychotic agents.

European Journal of Medicinal Chemistry published new progress about 5-HT2A antagonists. 84163-77-9 belongs to class benzisoxazole, and the molecular formula is C12H13FN2O, Product Details of C12H13FN2O.

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

Greed, Stephanie’s team published research in Chemistry – A European Journal in 2020-10-04 | 84163-77-9

Chemistry – A European Journal published new progress about Amides Role: SPN (Synthetic Preparation), PREP (Preparation) (sulfonimidamides). 84163-77-9 belongs to class benzisoxazole, and the molecular formula is C12H13FN2O, Related Products of 84163-77-9.

Greed, Stephanie; Briggs, Edward L.; Idiris, Fahima I. M.; White, Andrew J. P.; Luecking, Ulrich; Bull, James A. published the artcile< Synthesis of Highly Enantioenriched Sulfonimidoyl Fluorides and Sulfonimidamides by Stereospecific Sulfur-Fluorine Exchange (SuFEx) Reaction>, Related Products of 84163-77-9, the main research area is enantioenriched sulfonimidoyl fluoride sulfonimidamide preparation stereospecific SuFEx; SuFEx reactions; chirality; sulfonimidamides; sulfur; synthetic methods.

Sulfonimidamides present exciting opportunities as chiral isosteres of sulfonamides, with potential for addnl. directional interactions. Here the authors present the first modular enantioselective synthesis of sulfonimidamides, including the first stereoselective synthesis of enantioenriched sulfonimidoyl fluorides, and studies on their reactivity. A new route to sulfonimidoyl fluorides is presented from solid bench-stable, N-Boc-sulfinamide salt building blocks. Enantioenriched arylsulfonimidoyl fluorides are shown to be readily racemized by fluoride ions. Conditions are developed, which trap fluoride and enable the stereospecific reaction of sulfonimidoyl fluorides with primary and secondary amines (100% es) generating sulfonimidamides with up to 99% ee. Aryl and alkyl sulfonimidoyl fluoride reagents are suitable for mild late stage functionalization reactions, exemplified by coupling with a selection of complex amines in marketed drugs.

Chemistry – A European Journal published new progress about Amides Role: SPN (Synthetic Preparation), PREP (Preparation) (sulfonimidamides). 84163-77-9 belongs to class benzisoxazole, and the molecular formula is C12H13FN2O, Related Products of 84163-77-9.

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