16799-08-9

Basic information

• Product Name: 3-methylphenethyl bromide
• Synonyms: 3-methylphenethyl bromide;1-(2-Bromoethyl)-3-methylbenzene, 1-Bromo-2-m-tolylethane;2-(m-Tolyl)ethyl bromide;m-(2-Bromoethyl)toluene;3-Methylphenethyl broMide 96%;Benzene,1-(2-bromoethyl)-3-methyl-
• CAS NO: 16799-08-9
• Molecular Formula: C₉H₁₁Br
• Molecular Weight: 199.09
• Mol File: 16799-08-9.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 101-103 °C/11 mmHg
• Flash Point: 109℃
• Appearance: /
• Density: 1.307 g/mL at 25 °C
• Vapor Pressure: 0.13mmHg at 25°C
• Refractive Index: n20/D 1.550
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 3-methylphenethyl bromide(CAS DataBase Reference)
• NIST Chemistry Reference: 3-methylphenethyl bromide(16799-08-9)
• EPA Substance Registry System: 3-methylphenethyl bromide(16799-08-9)

Safety Data

• Hazard Codes: Xn,N
• Statements: 22-36/37/38-51/53
• Safety Statements: 26-36/37-61
• RIDADR: UN 3082 9/PG 3
• WGK Germany: 3
• Hazardous Substances Data: 16799-08-9(Hazardous Substances Data)

Usage

General Description

3-methylphenethyl bromide is a chemical compound belonging to the phenethyl bromide derivatives' class. It is composed of a benzene ring, a bromine atom and an ethyl chain with a methyl group at the third position from the benzene ring. Its chemical formula is C9H11Br and its molecular weight is around 211.09 g/mol. This aromatic compound is a liquid at room temperature and is commonly used as an alkylating agent in organic synthesis. Its synthesis includes the reaction of 3-methylphenethyl alcohol with hydrobromic acid. It is not naturally occurring but is manufactured in laboratories for use in chemical research.

InChI:InChI=1/C9H11Br/c1-8-3-2-4-9(7-8)5-6-10/h2-4,7H,5-6H2,1H3

Upstream product

• 1875-89-4 2-(3-methylphenyl)ethanol 
• 591-17-3 meta-bromotoluene 
• 625-95-6 3-Iodotoluene 
• 558-13-4 carbon tetrabromide 
• 28987-79-3 m-tolylmagnesium bromide 
• 591-24-2 3-Methylcyclohexanone 
• 5181-67-9 ethyl 3-methyl-1-hydroxycyclohexane-1-acetate 
• 40061-55-0 ethyl m-methylphenylacetate 
• 621-36-3 m-methylphenylacetic acid 

Downstream Products

• 103094-69-5 5-(m-tolyl)pentan-2-one 
• 111026-49-4 2-Phenyl-4-m-tolyl-butyronitrile 
• 181129-91-9 4-Methyl-2-oxo-1-(2-m-tolyl-ethyl)-cyclohexanecarboxylic acid ethyl ester 
• 73908-04-0 triethylcarbinyl bromide 
• 100-80-1 3-methylstyrene 
• 123060-92-4 3-methyl-2-[2-(3-methylphenyl)ethyl]cyclohex-2-en-1-one 
• 123060-98-0 2-(2-m-methylphenylethyl)-1,3,3-trimethylcyclohexanol 
• 123060-93-5 2-(m-methylphenylethyl)-3,3-dimethylcyclohexan-1-one 
• 3751-48-2 3-(3-methylphenyl)propanoic acid 
• 73721-06-9 2-(3-methylphenyl)propanoic acid 

Relevant articles and documents

Cascade bio-hydroxylation and dehalogenation for one-pot enantioselective synthesis of optically active β-halohydrins from halohydrocarbons

A stereoselective hydroxylation and enantioselective dehalogenation cascade reaction was developed for the synthesis of optically active β-haloalcohols from halohydrocarbons. This cascade system employed P450 and halohydrin dehalogenase as two compatible biocatalysts, allowing a straightforward, greener and efficient access to β-halohydrins with excellent enantioselectivities (98-99%).

4-arylpiperidine derivatives for the treatment of pruritus

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Stereochemical control in microbial reduction. Part 31: Reduction of alkyl 2-oxo-4-arylbutyrates by baker's yeast under selected reaction conditions

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