54826-14-1

Basic information

• Product Name: 1-(3-BROMO-4-CHLOROPHENYL)ETHANONE
• Synonyms: Ethanone, 1-(3-broMo-4-chlorophenyl)-
• CAS NO: 54826-14-1
• Molecular Formula: C₈H₆BrClO
• Molecular Weight: 233.4896
• Mol File: 54826-14-1.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 310.282 °C at 760 mmHg
• Flash Point: 141.454 °C
• Appearance: /
• Density: 1.566 g/cm³
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 1-(3-BROMO-4-CHLOROPHENYL)ETHANONE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(3-BROMO-4-CHLOROPHENYL)ETHANONE(54826-14-1)
• EPA Substance Registry System: 1-(3-BROMO-4-CHLOROPHENYL)ETHANONE(54826-14-1)

Safety Data

• Hazardous Substances Data: 54826-14-1(Hazardous Substances Data)

Usage

General Description

1-(3-bromo-4-chlorophenyl)ethanone is a chemical compound with the formula C8H6BrClO. It is an aromatic ketone containing a bromine atom and a chlorine atom attached to a phenyl ring, with an ethanone group attached at the 1 position. 1-(3-BROMO-4-CHLOROPHENYL)ETHANONE is commonly used as an intermediate in the synthesis of various pharmaceuticals and agrochemicals. It also has potential applications in organic synthesis and research. 1-(3-bromo-4-chlorophenyl)ethanone is considered to be a hazardous substance and should be handled with care, using appropriate safety measures and protective equipment.

Upstream product

• 56759-32-1 1-(4-amino-3-bromophenyl)-ethanone 
• 544-92-3 copper(I) cyanide 
• 694-80-4 2-bromo-1-chlorobenzene 
• 75-36-5 acetyl chloride 
• 99-91-2 para-chloroacetophenone 
• 203179-00-4 3-bromo-4-chloro-N-methoxy-N-methylbenzamide 
• 75-16-1 methylmagnesium bromide 
• 79406-57-8 3-amino-4-chloroacetophenone 

Downstream Products

• 1025772-35-3 1-(3-bromo-4-chlorophenyl)-N-((R)-1-(3-chlorophenyl)ethyl)ethanamine 

Relevant articles and documents

Synthesis method for aromatic ring bromination of acetophenones derivative

The invention relates to a synthesis method for aromatic ring bromination of an acetophenones derivative, and belongs to the technical field of organic synthesis. The synthesis method consists of twokinds of synthesis methods: method A, adding the acetophenone derivative into a first oxidizing agent and stirring to form a suspension system, controlling the temperature of the suspension system tobe 10-50 DEG C, adding a first reducing agent or a second reducing agent, stirring and reacting for 2-20 h, and performing aftertreatment after the reaction is completed to obtain the aromatic ring brominated acetophenone derivative; method B, adding the acetophenone derivative into the second reducing agent and stirring to form a suspension system, controlling the temperature of the suspension system to be 10-50 DEG C, then adding a second oxidizing agent or the first oxidizing agent, stirring and reacting for 2-20 h, and performing aftertreatment after the reaction is completed to obtain thearomatic ring brominated acetophenone derivative. According to the synthesis method provided by the invention, an inorganic and non-toxic bromination reagent is used, water is used as a reaction solvent, the prepared product is mutually incompatible with water, so that separation and the aftertreatment are convenient to perform, therefore, the synthesis method of the invention is applicable to large-scale industrial production of intermediate products for aromatic ring bromination of the acetophenones derivative.

Isoquinolinium Dichromate and Chlorochromate as Efficient Catalysts for Oxidative Halogenation of Aromatic Compounds under Acid-Free Conditions

Isoquinolinium dichromate and isoquinolinium chlorochromate were found as efficient catalysts to trigger oxidative bromination and iodination of aromatic hydrocarbons with KBr/KI and KHSO4 under acid-free conditions. Reaction times reduced highly significantly under sonication, followed by corresponding mono bromo derivatives in very good yield with high regioselectivity.

Diazinones as P2 replacements for pyrazole-based cathepsin S inhibitors

A pyridazin-4-one fragment 4 (hCatS IC50 = 170 μM) discovered through Tethering was modeled into cathepsin S and predicted to overlap in S2 with the tetrahydropyridinepyrazole core of a previously disclosed series of CatS inhibitors. This fragment served as a template to design pyridazin-3-one 12 (hCatS IC50 = 430 nM), which also incorporates P3 and P5 binding elements. A crystal structure of 12 bound to Cys25Ser CatS led to the synthesis of the potent diazinone isomers 22 (hCatS IC50 = 60 nM) and 27 (hCatS IC50 = 40 nM).