40180-80-1

Basic information

• Product Name: 3'-BROMO-4'-METHYLACETOPHENONE
• Synonyms: 1-(3-BroMo-4-Methylphenyl)ethanone;3'-Bromo-4'-methylacetophenone 97%;3'-BROMO-4'-METHYLACETOPHENONE
• CAS NO: 40180-80-1
• Molecular Formula: C₉H₉BrO
• Molecular Weight: 213.07
• Product Categories: Bromine Compounds;C9;Carbonyl Compounds;Ketones;Aromatic Acetophenones & Derivatives (substituted);Adehydes, Acetals & Ketones
• Mol File: 40180-80-1.mol
• Article Data: 8

Chemical Properties

• Melting Point: 42-46 °C(lit.)
• Boiling Point: 118°C/3mmHg(lit.)
• Flash Point: 85.5 °C
• Appearance: /
• Density: 1.388 g/cm³
• Vapor Pressure: 0.00406mmHg at 25°C
• Refractive Index: 1.548
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• CAS DataBase Reference: 3'-BROMO-4'-METHYLACETOPHENONE(CAS DataBase Reference)
• NIST Chemistry Reference: 3'-BROMO-4'-METHYLACETOPHENONE(40180-80-1)
• EPA Substance Registry System: 3'-BROMO-4'-METHYLACETOPHENONE(40180-80-1)

Safety Data

• WGK Germany: 3
• Hazardous Substances Data: 40180-80-1(Hazardous Substances Data)

Usage

Uses

3''-Bromo-4''-methylacetophenone is used as a starting material in the synthesis of mansonone E which is used to make mansonone E dervivatives. These derivatives are potent inhibitors of topoisomerase II (Topo II) and topoisomerase I (Topo I) and are also potent antitumor agents. 3''-Bromo-4''-methylacetophenone is also used as a reagent in the synthesis of BAF312, Siponimod which has been tested in the treatment of patients suffering from relapsing-remitting multiple sclerosis.

InChI:InChI=1/C9H9BrO/c1-6-3-4-8(7(2)11)5-9(6)10/h3-5H,1-2H3

Upstream product

• 536-50-5 CH₃C₆H₄CH(CH₃)OH 
• 5333-27-7 1-(4-methyl-3-nitro-phenyl)-ethanone 
• 2437-76-5 2-bromo-p-cymene 
• 122-00-9 para-methylacetophenone 
• 17071-24-8 1-(3-amino-4-methylphenyl)ethanone 

Downstream Products

• 943436-76-8 1-(3-bromo-4-methylphenyl)-3-(3,5-dichlorophenyl)-4,4,4-trifluoro-3-hydroxybutane-1-one 
• 33414-49-2 1-(3-hydroxy-4-methylphenyl)ethanone 

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.

SUBSTITUTED TOLYL FUNGICIDE MIXTURES

Disclosed is a fungicidal composition comprising (a) at least one compound selected from the compounds of Formula 1, N-oxides, and salts thereof, wherein A, Q, R1 and R2 are as defined in the disclosure; and (b) at least one additional fungicidal compound selected from those disclosed herein. Also disclosed is a method for controlling plant diseases caused by fungal plant pathogens comprising applying to the plant or portion thereof, or to the plant seed, a fungicidally effective amount of the aforesaid composition.

Fast oxidation of secondary alcohols by the bromate-bromide system using cyclic microwave heating in acidic water

We report an improved, gentle, cyclic microwave activation technique for the oxidation of secondary alcohols using nonhazardous hypobromous acid (BrOH) as the reagent in acidic water. Several aliphatic and aromatic secondary alcohols were successfully oxidized to the corresponding ketones using this technique in high yields and with only minor amounts of side products.