5000-66-8

Basic information

• Product Name: 2-Bromo-2'-chloroacetophenone
• Synonyms: 2-Bromo-1-(-2-chlorophenyl)ethanone;-Bromo-2-chloroacetophenone;2'-CHLOROPHENACYL BROMIDE;2-CHLOROPHENACYL BROMIDE;2-BROMO-1-(2-CHLOROPHENYL)-1-ETHANONE;2-BROMO-1-(2-CHLOROPHENYL)ETHAN-1-ONE;2-BROMO-2'-CHLORO ACETOPHENONE;2'-CHLORO-2-BROMOACETOPHENONE
• CAS NO: 5000-66-8
• Molecular Formula: C₈H₆BrClO
• Molecular Weight: 233.49
• Product Categories: Aromatics;C7 to C8;Carbonyl Compounds;Ketones
• Mol File: 5000-66-8.mol
• Article Data: 66

Chemical Properties

• Boiling Point: 105 °C1 mm Hg(lit.)
• Flash Point: >230 °F
• Appearance: Colorless to pale yellow/Liquid
• Density: 1.602 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.5900(lit.)
• Storage Temp.: Keep Cold
• Solubility: Acetone, Chloroform, Ethyl Acetate, Methanol
• Sensitive: Lachrymatory
• CAS DataBase Reference: 2-Bromo-2'-chloroacetophenone(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Bromo-2'-chloroacetophenone(5000-66-8)
• EPA Substance Registry System: 2-Bromo-2'-chloroacetophenone(5000-66-8)

Safety Data

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45
• RIDADR: UN 2922 8/PG 2
• WGK Germany: 3
• HazardClass: 8
• PackingGroup: II
• Hazardous Substances Data: 5000-66-8(Hazardous Substances Data)

Usage

Chemical Properties

Colourless Liquid

Uses

2’-Chloro-2-bromoacetophenone (cas# 5000-66-8) is a compound useful in organic synthesis.

Upstream product

• 2142-68-9 1-(2-chlorophenyl)ethanone 
• 2039-87-4 2-chlorostyrene 
• 108-90-7 chlorobenzene 
• 13524-04-4 2'-chloro-sec-phenethyl alcohol 
• 577-16-2 2-Methylacetophenone 
• 873-31-4 2-chlorophenylacetylene 
• 17356-08-0 thiourea 
• 1056775-36-0 1-(bromoethynyl)-2-chlorobenzene 
• 186581-53-3 diazomethane 
• 609-65-4 o-chlorobenzoyl chloride 

Downstream Products

• 134044-46-5 2-(2-Chloro-phenyl)-imidazo[1,2-a]pyrimidine 
• 189149-13-1 4-(2-chlorophenyl)-2-thiazolyl thiol 
• 855300-90-2 C₁₀H₈ClNO₃ 
• 873192-76-8 2-amino-5-(2-chloro-phenyl)-1H-pyrrole-3-carboxylic acid ethyl ester 
• 912675-35-5 1-[4-(4-acetylphenoxy)phenyl]-4-(2-chlorophenyl)butane-1,4-dione 
• 904686-43-7 1-(2-chlorophenyl)-4-(4-propoxyphenyl)butane-1,4-dione 
• 917903-27-6 1-(2-chloro-phenyl)-2-{2-[3-(3-piperidin-1-yl-propoxy)-phenyl]-pyrrolidin-1-yl}-ethanone 
• 948886-26-8 ethyl 2-oxo-1-[2-oxo-2-(4-chlorophenyl)ethyl]cyclopentane-1-carboxylate 
• 62717-50-4 o-chlorostyrene oxide 
• 142363-65-3 1-(2-chlorophenyl)-2-(n-propylamino)ethanol 
• 142363-69-7 6-(2-chlorophenyl)-4-n-propylmorpholin-3-one 
• 142363-73-3 2-(2-chlorophenyl)-4-n-propylmorpholine 
• 60850-73-9 1-(1H-1,2,4-triazol-1-yl)-2'-chloroacetophenone 
• 126961-72-6 1-(2-Chloro-phenyl)-2-[1,2,4]triazol-1-yl-ethane-1,2-dione 2-oxime 

Relevant articles and documents

Tulobuterol crystal form and preparation method thereof

The invention provides a tulobuterol crystal form and a preparation method thereof. The preparation method comprises the following steps of: dissolving tulobuterol in ethyl acetate and other good solvents, dropwisely adding n-heptane and other poor solvents into the system, filtering, taking the filter cake, and drying the filter cake to obtain the tulobuterol crystal form crystal. The crystal form is high in purity and good in stability, has superiority in process production, and is suitable for long-term storage in the preparation process.

Novel BuChE-IDO1 inhibitors from sertaconazole: Virtual screening, chemical optimization and molecular modeling studies

In our effort towards the identification of novel BuChE-IDO1 dual-targeted inhibitor for the treatment of Alzheimer's disease (AD), sertaconazole was identified through a combination of structure-based virtual screening followed by MM-GBSA rescoring. Preliminary chemical optimization was performed to develop more potent and selective sertaconazole analogues. In consideration of the selectivity and the inhibitory activity against target proteins, compounds 5c and 5d were selected for the next study. Further modification of compound 5c led to the generation of compound 10g with notably improved selectivity towards BuChE versus AChE. The present study provided us with a good starting point to further design potent and selective BuChE-IDO1 inhibitors, which may benefit the treatment of late stage AD.

Ru-Tethered (R,R)-TsDPEN with DMAB as an efficient catalytic system for high enantioselective one-pot synthesis of chiral β-aminolviaasymmetric transfer hydrogenation

This work reflects Ru-tethered-TsDPEN as an active chiral catalyst for one pot selective synthesis of optically active α-substituted alcohols and its derivatives from α-bromo ketones in the presence of dimethylamine borane (DMAB) as the hydrogen source. Various Ru-chiral catalysts have been screened and the methodology proceededviaa (R,R) Ru-tethered TsDPEN catalyst through asymmetric transfer hydrogenation (ATH) of the in-situ formed ketones to the corresponding chiral β-aminol product. Thus, the Ru-tethered TsDPEN-DMAB catalytic system works efficiently with higher yield and high enantiomeric excess over others for the ATH process. Based on a study ofortho,metaandparasubstituted α-bromo acetophenone derivatives, effective enantioselectivity has been observed fororthosubstituted β-aminol. The mechanism has been optimized depending on product analysis with the help of its kinetic AT-IR study. This work also focusses on the synthesis of various β-amino alcohol derivatives where the effect of an EWG and EDG on enantio-selectivity has been studied.