3-(BROMOMETHYL)BENZOIC ACID

Base Information

• Chemical Name: 3-(BROMOMETHYL)BENZOIC ACID
• CAS No.: 6515-58-8
• Molecular Formula: C8H7 Br O2
• Molecular Weight: 215.046
• Hs Code.: 2916399090
• Mol file: 6515-58-8.mol

Synonyms:m-Toluicacid, a-bromo- (7CI,8CI);3-(Bromomethyl)benzoic acid; 3-Carboxybenzyl bromide; NSC 57780;m-Bromomethylbenzoic acid

Chemical Property of 3-(BROMOMETHYL)BENZOIC ACID

Chemical Property:

• Vapor Pressure: 3.93E-05mmHg at 25°C
• Melting Point: 151-152 °C
• Boiling Point: 338.1°C at 760 mmHg
• PKA: 4.08±0.10(Predicted)
• Flash Point: 158.2°C
• PSA: 37.30000
• Density: 1.635±0.06 g/cm3(Predicted)
• LogP: 2.27970
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: DMSO, Methanol

Purity/Quality:

99% ^*data from raw suppliers

3-(Bromomethyl)benzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-(BROMOMETHYL)BENZOIC ACID

There total 10 articles about 3-(BROMOMETHYL)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: 86.0%

m-Toluic acid (99-04-7) → 3-bromomethylbenzoic acid (6515-58-8)

Guidance literature:

With N-Bromosuccinimide; dibenzoyl peroxide; In dichloromethane; for 2h; Reflux;

Reference yield: 61.0%

N-Bromosuccinimide (128-08-5) + m-Toluic acid (99-04-7) → Succinimide (123-56-8,89963-74-6) + 3-bromomethylbenzoic acid (6515-58-8)

Guidance literature:

In chloroform; for 2.75h; Irradiation; Heating / reflux;

Reference yield: 53.0%

tert-Butyl peroxybenzoate (614-45-9) + m-Toluic acid (99-04-7) → 3-bromomethylbenzoic acid (6515-58-8)

Guidance literature:

With N-Bromosuccinimide; In tetrachloromethane;

upstream raw materials:

3-(bromomethyl)benzoyl bromide

m-Toluic acid

N-Bromosuccinimide

Bromoform

Downstream raw materials:

1-<(3-bromomethylbenzoyl)oxy>-2,5-pyrrolidinedione

3-(mercaptomethyl)-benzoic acid

Refernces

• 1、 -. "Indazole-oxadiazole derivative, medicinal composition containing derivative, and application of derivative in tumor prevention". Paragraph 0229; 0230; 0231. . Retrieved 2017/07/25.
• 2、 -. "HISTONE DEACETYLASE INHIBITORS". Page/Page column 22. . Retrieved 2012/05/04.