Ethyl 4-bromo-2-(trifluoromethoxy)benzoate

Base Information

• Chemical Name: Ethyl 4-bromo-2-(trifluoromethoxy)benzoate
• CAS No.: 933785-18-3
• Molecular Formula: C9H6BrF3O3
• Molecular Weight: 299.044
• Hs Code.: 2918990090
• Mol file: 933785-18-3.mol

Synonyms:methyl 4-bromo-2-(trifluoromethoxy)benzoate;benzoic acid, 4-bromo-2-(trifluoromethoxy)-, methyl ester;

Chemical Property of Ethyl 4-bromo-2-(trifluoromethoxy)benzoate

Chemical Property:

• Vapor Pressure: 0.0089mmHg at 25°C
• Refractive Index: 1.486
• Boiling Point: 265.9 °C at 760 mmHg
• Flash Point: 114.6 °C
• PSA: 35.53000
• Density: 1.626 g/cm³
• LogP: 3.13430
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

98% ^*data from raw suppliers

Methyl4-Bromo-2-(trifluoromethoxy)benzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Ethyl 4-bromo-2-(trifluoromethoxy)benzoate

There total 3 articles about Ethyl 4-bromo-2-(trifluoromethoxy)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: 77.0%

methanol (67-56-1) + 4-bromo-2-(trifluoromethoxy)benzoic acid (509142-48-7) → methyl 4-bromo-2-(trifluoromethoxy)benzoate (933785-18-3)

Guidance literature:

With hydrogenchloride; Reflux;

Reference yield: 55.0%

carbon monoxide (201230-82-2) + 4-bromo-1-iodo-2-(trifluormethoxy)benzene → methyl 4-bromo-2-(trifluoromethoxy)benzoate (933785-18-3)

Guidance literature:

With triethylamine; palladium diacetate; 1,3-bis-(diphenylphosphino)propane; In methanol; at 65 ℃; for 4h; under 1875.19 Torr;

Reference yield: 24.5%

methanol (67-56-1) + carbon monoxide (201230-82-2) + 4-bromo-1-iodo-2-(trifluormethoxy)benzene → methyl 4-bromo-2-(trifluoromethoxy)benzoate (933785-18-3)

Guidance literature:

With triethylamine; palladium diacetate; 1,3-bis-(diphenylphosphino)propane; at 65 ℃; for 3.66667h; under 2625.26 Torr;

upstream raw materials:

carbon monoxide

methanol

4-bromo-2-(trifluoromethoxy)benzoic acid

Downstream raw materials:

4-(4-methoxycarbonyl)-3-(trifluoromethoxy)phenylboronic acid

methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2yl)-2-(trifluoromethoxy)benzoate

4-bromo-2-(trifluoromethoxy)benzoic acid

Refernces

• 1、 Meyers, Marvin J.,Arhancet, Graciela B.,Hockerman, Susan L.,Chen, Xiangyang,Long, Scott A.,Mahoney, Matthew W.,Rico, Joseph R.,Garland, Danny J.,Blinn, James. R.,Collins, Joe T.,Yang, Shengtian,Huang, Horng-Chih,McGee, Kevin F.,Wendling, Jay M.,Dietz, Jessica D.,Payne, Maria A.,Homer, Bruce L.,Heron, Marcia I.,Reitz, David B.,Hu, Xiao. "Discovery of (3 S,3a R)-2-(3-chloro-4-cyanophenyl)-3-cyclopentyl-3,3a,4,5- tetrahydro-2 H -benzo[ g ]indazole-7-carboxylic acid (PF-3882845), an orally efficacious mineralocorticoid receptor (MR) antagonist for hypertension and nephropathy". experimental part. p. 5979 - 6002. Retrieved 2010/11/02.