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1056477-06-5

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1056477-06-5 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 1056477-06-5 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,0,5,6,4,7 and 7 respectively; the second part has 2 digits, 0 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 1056477-06:
(9*1)+(8*0)+(7*5)+(6*6)+(5*4)+(4*7)+(3*7)+(2*0)+(1*6)=155
155 % 10 = 5
So 1056477-06-5 is a valid CAS Registry Number.

1056477-06-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-bromo-cyclo-hexanone

1.2 Other means of identification

Product number -
Other names .2-bromocyclohexan-1-one

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:1056477-06-5 SDS

1056477-06-5Relevant articles and documents

Metal-free protocol for the synthesis of α-bromo ketones from olefins using TsNBr2

Rajbongshi, Kamal Krishna,Hazarika, Debojit,Phukan, Prodeep

, p. 356 - 358 (2015)

TsNBr2 reacts readily with olefins to produce α-bromo ketones at room temperature. The synthesis was carried out by treating an olefin with TsNBr2 in acetone-water mixture in 30:1 ratio. Excellent yield of corresponding α-bromo ketone could be achieved within a short time.

Synthesis of Antibacterial Glycosylated Polycaprolactones Bearing Imidazoliums with Reduced Hemolytic Activity

Xu, Yuan,Zhang, Kaixi,Reghu, Sheethal,Lin, Yichao,Chan-Park, Mary B.,Liu, Xue-Wei

, p. 949 - 958 (2019)

Most synthetic antimicrobial polymers are not biodegradable, thus limiting their potential for large-scale applications in personal care disinfection and environmental contaminations. Poly(?-caprolactone) (PCL) is known to be both biodegradable and biocom

Molecular modeling and biological evaluation of 2-N,N- dimethylaminecyclohexyl 1-N′,N′-dimethylcarbamate isomers and their methylsulfate salts as cholinesterases inhibitors

Bocca, Cleverson C.,Rittner, Roberto,H?ehr, Nelci F.,Pinheiro, Glaucia M.S.,Abiko, Layara A.,Basso, Ernani A.

, p. 194 - 199 (2010)

This work presents a detailed theoretical and experimental study on the inhibitory properties of 2-N,N-dimethylaminecyclohexyl 1-N′,N′- dimethylcarbamate isomers and their methylsulfate salts against the cholinesterases enzymes. The in vitro inhibition test performed by the Ellman's method showed that the salt form compounds were more active than the neutral ones in cholinesterases inhibition. The trans salt showed good selectivity towards the inhibition of erythrocyte cholinesterase with a maximum limit around 90% and 55% for the plasma cholinesterase inhibition. Molecular modeling, docking and experimental results performed in this study showed to be important initial steps toward the development of a novel pharmaceuticals in the fight against Alzheimer's disease.

DIRECT SYNTHESIS OF α-BROMOKETONES FROM OLEFINS

Zav'yalov, S. I.,Sitkareva, I. V.

, p. 2231 - 2233 (1985)

-

Application of poly(vinylphenyltrimethylammonium tribromide) resin as an efficient polymeric brominating agent in the α-bromination and α-bromoacetalization of acetophenones

Han, Bingbing,Zheng, Zubiao,Zheng, Dongcheng,Zhang, Lei,Cui, Peng,Shi, Jianjun,Li, Changjiang

, p. 2512 - 2520 (2019)

The applications of a new supported tribromide reagent based on poly(vinylbenzyltrimethylammonium hydroxide) resin (Amberlite 717) were reported. This supported tribromide resin was used directly in α-bromination and α-bromoacetalization of acetophenones without any other catalyst under mild conditions. The effects of solvents and the amount of the supported tribromide resin on the reactions were investigated. Under the optimal conditions, most of α-bromo and α-bromoacetal of acetophenones were selectively obtained in excellent yields.

1,3-Dibromo-5,5-dimethylhydantoin (DBH) mediated one-pot syntheses of α-bromo/amino ketones from alkenes in water

Xu, Senhan,Wu, Ping,Zhang, Wei

, p. 11389 - 11395 (2016)

α-Bromo ketones are versatile intermediates of high practical utility. Traditional approaches to these compounds are restricted to a relatively hazardous/complex reagent combination, a long reaction time, the use of non-environmentally friendly solvents, or a limited substrate scope. Herein, we describe the development of a new methodology for the preparation of α-bromo ketones from alkenes using 1,3-dibromo-5,5-dimethylhydantoin (DBH) as a bromine source and an oxidant simultaneously. This easy to carry out two-step one-pot protocol proceeds in water and provides high yield of a great variety of α-bromo ketones. Addition of an amine to the intermediate α-bromo ketone further enables the preparation of α-amino ketones in a one-pot sequence.

SYNTHESIS OF 4-IMIDAZOLIN-2-ONES

Zav'yalov, S. I.,Sitkareva, I. V.,Ezhova, G. I.,Dorofeeva, O. V.,Zavozin, A. G.,Rumyantseva, E. E.

, p. 1297 - 1299 (1990)

The reaction of α-bromoketones with CO(NH2)2 and AcONH4 in aqueous acetic acid gave substituted 4-imidazolin-2-ones.

Conformational analysis of cis-2-halocyclohexanols; Solvent effects by NMR and theoretical calculations

Basso, Ernani A.,Abiko, Layara A.,Gauze, Gisele F.,Pontes, Rodrigo M.

, p. 145 - 153 (2011)

Conformational problems often involve very small energy differences, even low as 0.5 kcal mol-1. This accuracy can be achieved by theoretical methods in the gas phase with the appropriate accounting of electron correlation. The solution behavio

Structural characterization of two novel potential anticholinesterasic agents

Oliveira, Paulo R.,Wiectzycosky, Franciele,Basso, Ernani A.,Gon?alves, Regina A.C.,Pontes, Rodrigo M.

, p. 191 - 198 (2003)

Two novel compounds with possible anticholinesterase activity have been synthesized containing a carbamate and a dimethylamine group in 1,2-positions of a cyclohexane ring (cis and trans isomers). Conformer populations were established by a combination of NMR 1H coupling constant analysis and DFT (B3LYP/6-311 + G(d,p)) calculations. 13C chemical shifts were calculated in order to confirm signal attributions. The cis isomer adopts a conformation in which the carbamate group lies at the axial position (>99%), whereas the trans isomer adopts a diequatorial arrangement (98%). These preferences have been explained in terms of syn-1,3-diaxial interactions of the individual groups.

Villieras et al.

, p. C7 (1973)

-

Bedoukian

, p. 1430 (1945)

-

Anion-Exchange Resins as Halogen Carriers in the Bromination and Chlorobromination of Organic Compounds

Bongini, Alessandro,Cainelli, Gianfranco,Contento, Michele,Manescalchi, Francesco

, p. 143 - 146 (1980)

-

Room-Temperature oxidation of secondary alcohols by bromate-bromide coupling in acidic water

Paeaekkoenen, Sanna,Pursiainen, Jouni,Lajunen, Marja

, p. 534 - 540 (2012)

The use of environmentally benign reactions is currently an important topic in the field of synthetic chemistry. Here we report a high-yielding method to oxidize aliphatic or aromatic secondary alcohols into corresponding ketones using nonhazardous and inexpensive BrOH reagent at room temperature in water. BrOH reagent was derived from NaBr and NaBrO3 in aqueous acid. Based on the presented results, a mechanism was proposed for this oxidation. The reported method offers a facile, efficient procedure to produce various ketones with a low amount of side products. Taylor & Francis Group, LLC.

Quinoxaline compound, preparation method and application of quinoxaline compound in medicine

-

Paragraph 0203-0206, (2021/07/24)

The invention provides a quinoxaline compound, a preparation method and application of the quinoxaline compound in medicine, and particularly relates to a quinoxaline compound with PAR4 antagonistic activity, a preparation method of the quinoxaline compound, a pharmaceutical composition containing the quinoxaline compound and application of the quinoxaline compound. Specifically, the invention provides a compound shown as a general formula I and/or II or a tautomer or pharmaceutically acceptable salt thereof, a preparation method of the compound, and application of the compound or the tautomer or the pharmaceutically acceptable salt in medicines for preventing and/or treating thromboembolic diseases.

Copper-Mediated Dichotomic Borylation of Alkyne Carbonates: Stereoselective Access to (E)-1,2-Diborylated 1,3-Dienes versus Traceless Monoborylation Affording α-Hydroxyallenes

Guo, Kun,Kleij, Arjan W.

supporting information, p. 4901 - 4906 (2021/01/21)

A mild copper-mediated protocol has been developed for borylation of alkynyl cyclic carbonates. Depending on the nature of the borylating reaction partner, either stereoselective diborylation of the propargylic surrogate takes place, providing convenient access to (E)-1,2-borylated 1,3-dienes, or traceless monoborylation occurs, which leads to α-hydroxyallenes as the principal product. The dichotomy in this borylation protocol has been scrutinized by several control experiments, illustrating that a relatively small change in the diboron(4) reagent allows for competitive alcohol-assisted protodemetalation to forge an α-hydroxyallene product under ambient conditions.

Synthesis and evaluation of novel and potent protease activated receptor 4 (PAR4) antagonists based on a quinazolin-4(3H)-one scaffold

Kong, Yi,Li, Shanshan,Liu, Shangde,Xie, Roujie,Yuan, Duo,Zhu, Xiong

supporting information, (2021/08/16)

Protease activated receptor 4 (PAR4) is an important target in antiplatelet therapy to reduce the risk of heart attack and thrombotic complications in stroke. PAR4 antagonists can prevent harmful and stable thrombus growth, while retaining initial thrombus formation, by acting on the late diffusion stage of platelet aggregation, and may provide a safer alternative to other antiplatelet agents. To date, only two PAR4 antagonists, BMS-986120 and BMS-986141 have entered clinical trials for thrombosis. Thus, the development of a potent and selective PAR4 antagonist with a novel chemotype is highly desirable. In this study, we explored the activity of quinazolin-4(3H)-one-based PAR4 antagonists, beginning with their IDT analogues. By repeated structural optimisation, we developed a series of highly selective PAR4 antagonists with nanomolar potency on human platelets. Of these, 13 and 30g, with an 8-benzo[d]thiazol-2-yl-substituted quinazolin-4(3H)-one structure, showed optimal activity (h. PAR4-AP PRP IC50 = 19.6 nM and 6.59 nM, respectively) on human platelets. Furthermore, 13 and 30g showed excellent selectivity for PAR4 versus PAR1 and other receptors (IC50s > 10 μM) on human platelets. And 13 and 30g were lack of cross-reactivity for PAR1 or PAR2 (PAR1 AP FLIPR IC50 > 3162 nM, PAR2 AP FLIPR IC50 > 1000 nM) in the calcium mobilization assays. Metabolic stability assays and cytotoxicity tests of 13 and 30g indicated that these compounds could sever as promising drug candidates for the development of novel PAR4 antagonists. In summary, the quinazolin-4(3H)-one-based analogues are the first reported chemotypes with excellent activity and selectivity against PAR4, and, in the current study, we expanded the structural diversity of PAR4 antagonists. The two compounds, 13 and 30g, found in our study could be promising starting points with great potential for further research in antiplatelet therapy.

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