4-Bromo-2-(Trifluoromethyl) Benzoic Acid

Base Information

• Chemical Name: 4-Bromo-2-(Trifluoromethyl) Benzoic Acid
• CAS No.: 320-31-0
• Molecular Formula: C8H4 Br F3 O2
• Molecular Weight: 269.018
• Hs Code.: 2916399090
• Mol file: 320-31-0.mol

Synonyms:2-Trifluoromethyl-4-bromobenzoic acid;4-Bromo-2-(Trifluoromethyl) Benzoic Acid 2-(Trifluoromethyl)-4-Bromo Benzoic Acid;2-Bromo-2-trifluoromethyl benzoic acid

Chemical Property of 4-Bromo-2-(Trifluoromethyl) Benzoic Acid

Chemical Property:

• Vapor Pressure: 0.00251mmHg at 25°C
• Melting Point: 121.0 to 125.0 °C
• Refractive Index: 1.516
• Boiling Point: 275.2°Cat760mmHg
• PKA: 3.00±0.36(Predicted)
• Flash Point: 120.2°C
• PSA: 37.30000
• Density: 1.773g/cm³
• LogP: 3.16610
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol

Purity/Quality:

98% ^*data from raw suppliers

4-Bromo-2-(trifluoromethyl)benzoic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-Bromo-2-(Trifluoromethyl) Benzoic Acid

There total 9 articles about 4-Bromo-2-(Trifluoromethyl) 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: 87.0%

4-bromo-1-methyl-2-(trifluoromethyl) benzene (86845-27-4) → 4-bromo-2-(trifluoromethyl)benzoic acid (320-31-0)

Guidance literature:

With cerium(III) chloride; 1,1,1-trichloroethanol; oxygen; In acetonitrile; at 60 ℃; Irradiation;

DOI:10.1007/s11426-021-1032-7

Reference yield: 66.4%

carbon dioxide (124-38-9,18923-20-1) + 4-bromo-1-iodo-2-(trifluoromethyl)benzene (364-12-5) → 4-bromo-2-(trifluoromethyl)benzoic acid (320-31-0)

Guidance literature:

4-bromo-1-iodo-2-(trifluoromethyl)benzene; With isopropylmagnesium chloride; In tetrahydrofuran; at -20 ℃; for 2h;

carbon dioxide; In tetrahydrofuran; at -20 ℃; for 1h; Further stages.;

DOI:10.1016/j.bmc.2006.12.043

Reference yield:

4-bromo-2-(trifluoromethyl)benzonitrile (191165-13-6) → 4-bromo-2-(trifluoromethyl)benzoic acid (320-31-0)

Guidance literature:

4-bromo-2-(trifluoromethyl)benzonitrile; With sodium hydroxide; water; In dimethyl sulfoxide; at 100 ℃; for 16h;

With hydrogenchloride; In water; dimethyl sulfoxide;

upstream raw materials:

carbon dioxide

4-bromo-1-iodo-2-(trifluoromethyl)benzene

4-bromo-2-trifluoromethyl-aniline

2-(trifluoromethyl)benzenamine

Downstream raw materials:

methyl 4-bromo-2-(trifluoromethyl) benzoate

4-bromo-2-(trifluoromethyl)benzohydrazide

Refernces

• 1、 -. "HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS". Page/Page column 136; 137; 138. . Retrieved 2018/03/25.
• 2、 Hattori, Yoshihide,Yamamoto, Hitoshi,Ando, Hideya,Kondoh, Hirofumi,Asano, Tomoyuki,Kirihata, Mitsunori,Yamaguchi, Yoshihiro,Wakamiya, Tateaki. "Synthesis and evaluation as MRI probe of the trifluoromethylated p-boronophenylalanine and its alcohol derivative". . p. 2198 - 2205. Retrieved 2008/02/02.