Methyl 3-bromo-5-(trifluoromethyl)benzoate

Base Information

• Chemical Name: Methyl 3-bromo-5-(trifluoromethyl)benzoate
• CAS No.: 187331-46-0
• Molecular Formula: C9H6BrF3O2
• Molecular Weight: 283.042
• Hs Code.: 2916399090
• Mol file: 187331-46-0.mol

Synonyms:Benzoic acid, 3-bromo-5-(trifluoromethyl)-, methyl ester;

Chemical Property of Methyl 3-bromo-5-(trifluoromethyl)benzoate

Chemical Property:

• Vapor Pressure: 0.0237mmHg at 25°C
• Boiling Point: 248.9°C at 760 mmHg
• Flash Point: 104.3°C
• PSA: 26.30000
• Density: 1.598g/cm³
• LogP: 3.25450
• Storage Temp.: 2-8°C

Purity/Quality:

99% ^*data from raw suppliers

Methyl3-Bromo-5-(trifluoromethyl)benzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Methyl 3-bromo-5-(trifluoromethyl)benzoate

There total 1 articles about Methyl 3-bromo-5-(trifluoromethyl)benzoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ 3-bromo-5-trifluoromethylbenzoic acid methyl ester (187331-46-0)

Guidance literature:

Reference yield: 82.0%

3-bromo-5-trifluoromethylbenzoic acid methyl ester (187331-46-0) + 2-trimethylsilylethanethiol (18143-30-1) → 3-trifluoromethyl-5-(2-trimethylsilanylethylsulfanyl)benzoic acid methyl ester (1466574-67-3)

Guidance literature:

3-bromo-5-trifluoromethylbenzoic acid methyl ester; 2-trimethylsilylethanethiol; In 1,4-dioxane; for 0.0833333h; Inert atmosphere;

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; N-ethyl-N,N-diisopropylamine; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In 1,4-dioxane; at 20 - 120 ℃; for 22h; Inert atmosphere; Sealed tube;

Reference yield: 74.0%

3-bromo-5-trifluoromethylbenzoic acid methyl ester (187331-46-0) + 4-methoxy-aniline (104-94-9) → methyl 3-trifluoromethyl-5-(4-methoxyphenylamino)benzoate

Guidance literature:

With (2’,4’,6’-triisopropyl-[1,1’-biphenyl]-2-yl)-diphenylphosphine; palladium diacetate; caesium carbonate; In toluene; tert-butyl alcohol; at 150 ℃; for 0.5h; Microwave irradiation;

DOI:10.1016/j.ejmech.2013.06.041

Downstream raw materials:

3-(3-tert-butoxycarbonylpropane-1-sulfonyl)-5-trifluoromethylbenzoic acid

3-(3-tert-butoxycarbonylpropane-1-sulfonyl)-5-trifluoromethylbenzoic acid methyl ester

3-(3-tert-butoxycarbonylpropylsulfanyl)-5-trifluoromethylbenzoic acid methyl ester

3-mercapto-5-trifluoromethylbenzoic acid methyl ester

Refernces