3-BROMO-2-(TRIFLUOROMETHOXY)BENZOIC ACID

Base Information

• Chemical Name: 3-BROMO-2-(TRIFLUOROMETHOXY)BENZOIC ACID
• CAS No.: 403646-45-7
• Molecular Formula: C8H4BrF3O3
• Molecular Weight: 285.017
• Hs Code.: 2918990090
• Mol file: 403646-45-7.mol

Synonyms:3-BROMO-2-(TRIFLUOROMETHOXY)BENZOIC ACID

Chemical Property of 3-BROMO-2-(TRIFLUOROMETHOXY)BENZOIC ACID

Chemical Property:

• Vapor Pressure: 0.002mmHg at 25°C
• Refractive Index: 1.518
• Boiling Point: 280.957 °C at 760 mmHg
• Flash Point: 123.719 °C
• PSA: 46.53000
• Density: 1.798g/cm³
• LogP: 3.04590
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

99% ^*data from raw suppliers

3-Bromo-2-(trifluoromethoxy)benzoicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-BROMO-2-(TRIFLUOROMETHOXY)BENZOIC ACID

There total 2 articles about 3-BROMO-2-(TRIFLUOROMETHOXY)BENZOIC ACID 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: 73.0%

carbon dioxide (124-38-9,18923-20-1) + 1-bromo-2-(trifluoromethoxy)benzene (64115-88-4) → 3-bromo-2-(trifluoromethoxy)benzoic acid (403646-45-7) + 3-bromo-6-(trifluoromethoxy)benzoic acid (403646-46-8)

Guidance literature:

1-bromo-2-(trifluoromethoxy)benzene; With n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane; at -100 ℃; for 2h;

carbon dioxide;

DOI:10.1002/1099-0690(200111)2001:21<3991::AID-EJOC3991>3.0.CO;2-J

Reference yield: 13.0%

1-bromo-2-(trifluoromethoxy)benzene (64115-88-4) → 3-bromo-2-(trifluoromethoxy)benzoic acid (403646-45-7)

Guidance literature:

1-bromo-2-(trifluoromethoxy)benzene; With lithium diisopropyl amide; In tetrahydrofuran; at -65 ℃; for 2h;

With carbon dioxide; In tetrahydrofuran; at 25 ℃; for 10h;

Reference yield: 83.0%

2-Amino-2-methyl-1-propanol (124-68-5) + 3-bromo-2-(trifluoromethoxy)benzoic acid (403646-45-7) → 3-bromo-N-(2-hydroxy-1,1-dimethylethyl)-2-(trifluoromethoxy)benzamide (561304-52-7)

Guidance literature:

3-bromo-2-(trifluoromethoxy)benzoic acid; With thionyl chloride; In toluene; for 2h; Heating;

2-Amino-2-methyl-1-propanol; In dichloromethane; at 25 ℃; for 12h;

DOI:10.1021/jo0267798

upstream raw materials:

carbon dioxide

1-bromo-2-(trifluoromethoxy)benzene

Downstream raw materials:

3-bromo-N-(2-hydroxy-1,1-dimethylethyl)-2-(trifluoromethoxy)benzamide

2-[3-bromo-2-(trifluoromethoxy)phenyl]-4,5-dihydro-4,4-dimethyloxazole

2-[3-azido-2-(trifluoromethoxy)phenyl]-4,5-dihydro-4,4-dimethyloxazole

2-[3-amino-2-(trifluoromethoxy)phenyl]-4,5-dihydro-4,4-dimethyloxazole

Refernces

• 1、 Schlosser, Manfred,Castagnetti. "1,2-Didehydro-3- and -4-(trifluoromethoxy)benzene: The "aryne" route to 1- and 2-(trifluoromethoxy)naphthalenes". . p. 3991 - 3997. Retrieved 2007/10/03.