Benzoic acid, 4-(trifluoromethyl)-, 1-methylethyl ester

Base Information

• Chemical Name: Benzoic acid, 4-(trifluoromethyl)-, 1-methylethyl ester
• CAS No.: 444993-17-3
• Molecular Formula: C11H11F3O2
• Molecular Weight: 232.202
• Mol file: 444993-17-3.mol

Synonyms:4-trifluoromethyl-benzoic acid isopropyl ester;

Chemical Property of Benzoic acid, 4-(trifluoromethyl)-, 1-methylethyl ester

Chemical Property:

• PSA: 26.30000
• LogP: 3.27060

Purity/Quality:

99% ^*data from raw suppliers

Isopropyl 4-(trifluoromethyl)benzoate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzoic acid, 4-(trifluoromethyl)-, 1-methylethyl ester

There total 3 articles about Benzoic acid, 4-(trifluoromethyl)-, 1-methylethyl 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: 86.0%

4-trifluoromethyl-phenyl acetyl chloride (329-15-7) + isopropyl alcohol (67-63-0,8013-70-5) → 4-trifluoromethyl-benzoic acid isopropyl ester (444993-17-3)

Guidance literature:

With triethylamine; at 22 ℃; for 4h;

Reference yield: 71.0%

carbon monoxide (201230-82-2) + isopropyl alcohol (67-63-0,8013-70-5) + 5,5-dimethyl-2-(4-trifluoromethyl-phenyl)-[1,3,2]dioxaborinane (501374-30-7) → 4-trifluoromethyl-benzoic acid isopropyl ester (444993-17-3)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; triethylamine; at 50 ℃; for 24h; under 760.051 Torr;

DOI:10.1002/anie.201000460

Reference yield: 60.0%

isopropyl formate (625-55-8) + p-trifluoromethylphenyl bromide (402-43-7) → 4-trifluoromethyl-benzoic acid isopropyl ester (444993-17-3)

Guidance literature:

p-trifluoromethylphenyl bromide; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h;

isopropyl formate; In tetrahydrofuran; hexane; at -78 ℃; for 3h;

With iodine; potassium carbonate; isopropyl alcohol; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 14h;

DOI:10.1016/j.tet.2012.04.016

upstream raw materials:

carbon monoxide

isopropyl alcohol

5,5-dimethyl-2-(4-trifluoromethyl-phenyl)-[1,3,2]dioxaborinane

isopropyl formate

Downstream raw materials:

2-(3-chloro-pyridin-2-yl)-4-trifluoromethyl-benzoic acid

2-(3-chloro-pyridin-2-yl)-4-trifluoromethyl-benzoyl chloride

6-chloro-2-[2-(3-chloro-pyridin-2-yl)-4-trifluoromethyl-phenyl]-8-methylbenzo[d][1,3]oxazin-4-one

5-chloro-2-[2-(3-chloropyridin-2-yl)-4-trifluoromethyl-benzoylamino]-N-dimethylcarbamoylmethoxy-3-methylbenzamide

Refernces

• 1、 -. "N-THIO-ANTHRANILAMIDE COMPOUNDS AND THEIR USE AS PESTICIDES". Page/Page column 86-87. . Retrieved 2013/03/26.
• 2、 Ushijima, Sousuke,Moriyama, Katsuhiko,Togo, Hideo. "Facile preparation of aromatic esters from aromatic bromides with ethyl formate or DMF and molecular iodine via aryllithium". experimental part. p. 4701 - 4709. Retrieved 2012/07/28.