4-BROMO-3-(TRIFLUOROMETHYL)BENZOIC ACID

Base Information

• Chemical Name: 4-BROMO-3-(TRIFLUOROMETHYL)BENZOIC ACID
• CAS No.: 161622-14-6
• Molecular Formula: C8H4BrF3O2
• Molecular Weight: 269.018
• Hs Code.: 2916399090
• Mol file: 161622-14-6.mol

Synonyms:4-Bromo-3-(trifluoromethyl)benzoicacid;4-Bromo-α,α,α-trifluoro-m-toluic acid;

Chemical Property of 4-BROMO-3-(TRIFLUOROMETHYL)BENZOIC ACID

Chemical Property:

• Appearance/Colour: White crystalline powder
• Vapor Pressure: 0.00103mmHg at 25°C
• Refractive Index: 1.516
• Boiling Point: 289.2 °C at 760 mmHg
• PKA: 3.54±0.10(Predicted)
• Flash Point: 128.7 °C
• PSA: 37.30000
• Density: 1.773 g/cm³
• LogP: 3.16610
• Storage Temp.: Sealed in dry,Room Temperature
• Sensitive.: Light Sensitive/Air Sensitive

Purity/Quality:

4-Bromo-3-(trifluoromethyl)benzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-BROMO-3-(TRIFLUOROMETHYL)BENZOIC ACID

There total 3 articles about 4-BROMO-3-(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:

4-bromo-3-(trifluoromethyl)benzonitrile (1735-53-1) → 4-bromo-3-(trifluoromethyl)benzoic acid (161622-14-6)

Guidance literature:

With sulfuric acid; water; at 100 ℃;

Reference yield:

4-bromobenzenecarbonitrile (623-00-7) → 4-bromo-3-(trifluoromethyl)benzoic acid (161622-14-6)

Guidance literature:

Multi-step reaction with 2 steps

1: silver carbonate; sodium carbonate; dipotassium peroxodisulfate; sulfuric acid / dichloromethane / 10 h / 120 °C / Schlenk technique; Sealed tube

2: sodium hydroxide; water / ethanol / 6 h / Reflux

With dipotassium peroxodisulfate; sulfuric acid; water; sodium carbonate; silver carbonate; sodium hydroxide; In ethanol; dichloromethane;

DOI:10.1021/ol503189j

Reference yield:

→ 4-bromo-3-(trifluoromethyl)benzoic acid (161622-14-6)

Guidance literature:

With dmap; In tert-butyl alcohol; at 50 ℃;

upstream raw materials:

4-bromo-3-(trifluoromethyl)benzonitrile

4-bromobenzenecarbonitrile

Downstream raw materials:

4-bromo-3-trifluoromethylbenzoic acid methyl ester

(4-bromo-3-(trifluoromethyl)phenyl)methanol

N-[4-(1-butyryl-piperidin-4-yl)-3-trifluoromethyl-benzoyl]-guanidine

N-{4-[1-(3-methyl-butyryl)-piperidin-4-yl]-3-trifluoromethyl-benzoyl}-guanidine

Refernces

• 1、 Shi, Guangfa,Shao, Changdong,Pan, Shulei,Yu, Jingxun,Zhang, Yanghui. "Silver-Catalyzed C-H Trifluoromethylation of Arenes Using Trifluoroacetic Acid as the Trifluoromethylating Reagent". supporting information. p. 38 - 41. Retrieved 2015/07/28.