Benzoic acid, 5-chloro-2-(trifluoromethyl)-, methyl ester

Base Information

• Chemical Name: Benzoic acid, 5-chloro-2-(trifluoromethyl)-, methyl ester
• CAS No.: 521064-74-4
• Molecular Formula: C9H6ClF3O2
• Molecular Weight: 238.594
• Hs Code.: 2916399090
• Mol file: 521064-74-4.mol

Synonyms:

Chemical Property of Benzoic acid, 5-chloro-2-(trifluoromethyl)-, methyl ester

Chemical Property:

• Vapor Pressure: 0.0134mmHg at 25°C
• Boiling Point: 258.8oC at 760 mmHg
• Flash Point: 105.2oC
• PSA: 26.30000
• Density: 1.38g/cm3
• LogP: 3.14540

Purity/Quality:

99% ^*data from raw suppliers

5-Chloro-2-(trifluoromethyl)benzoic acid methyl ester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzoic acid, 5-chloro-2-(trifluoromethyl)-, methyl ester

There total 2 articles about Benzoic acid, 5-chloro-2-(trifluoromethyl)-, methyl ester 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: 96.5%

methanol (67-56-1) + 5-chloro-2-(trifluoromethyl)benzoic acid (654-98-8) → methyl 5-chloro-2-(trifluoromethyl)benzoate (521064-74-4)

Guidance literature:

With thionyl chloride; at 70 ℃; for 12h;

Reference yield: 8.8%

methanol (67-56-1) + carbon monoxide (201230-82-2) + 2,4-dichloro-benzotrifluoride (320-60-5) → methyl 5-chloro-2-(trifluoromethyl)benzoate (521064-74-4)

Guidance literature:

methanol; carbon monoxide; 2,4-dichloro-benzotrifluoride; With potassium carbonate; at 20 ℃; for 0.333333h;

With dicobalt octacarbonyl; for 0.0833333h; regioselective reaction; Further stages;

DOI:10.3390/molecules19055876

Reference yield: 66.5%

zinc(II) cyanide (557-21-1) + methyl 5-chloro-2-(trifluoromethyl)benzoate (521064-74-4) → Methyl 5-cyano-2-(trifluoromethyl)benzoate (1415089-89-2)

Guidance literature:

With zinc; 1,1'-bis-(diphenylphosphino)ferrocene; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; In ISOPROPYLAMIDE; at 85 ℃; for 12h;

upstream raw materials:

methanol

5-chloro-2-(trifluoromethyl)benzoic acid

carbon monoxide

2,4-dichloro-benzotrifluoride

Downstream raw materials:

Methyl 5-cyano-2-(trifluoromethyl)benzoate

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