2-(Bromomethyl)benzoic acid

Base Information

• Chemical Name: 2-(Bromomethyl)benzoic acid
• CAS No.: 7115-89-1
• Molecular Formula: C8H7 Br O2
• Molecular Weight: 215.046
• Hs Code.: 2916399090
• Mol file: 7115-89-1.mol

Synonyms:o-Toluic acid, a-bromo- (7CI,8CI); 2-(Bromomethyl)benzoicacid; NSC 403995; o-(Bromomethyl)benzoic acid; o-Carboxybenzyl bromide

Chemical Property of 2-(Bromomethyl)benzoic acid

Chemical Property:

• Vapor Pressure: 0.000165mmHg at 25°C
• Melting Point: 148-151oC
• Boiling Point: 317.1°Cat760mmHg
• PKA: 3.66±0.36(Predicted)
• Flash Point: 145.6°C
• PSA: 37.30000
• Density: 1.635g/cm³
• LogP: 2.27970
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Water Solubility.: Insoluble in water.

Purity/Quality:

99% ^*data from raw suppliers

2-(Bromomethyl)benzoicAcid ^*data from reagent suppliers

Safty Information:

• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 2-(Bromomethyl)benzoic acid contains bi functional groups such as benzylic bromide and carboxylic acid are involved in nucleophilic reactions and esterification reactions respectively.

Technology Process of 2-(Bromomethyl)benzoic acid

There total 6 articles about 2-(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: 88.0%

ortho-methylbenzoic acid (118-90-1) → 2-(bromomethyl)benzoic acid (7115-89-1)

Guidance literature:

With sodium bromate; sodium hydrogencarbonate; In water; ethyl acetate; at 20 ℃; for 3h;

DOI:10.1021/ml300037k

Reference yield: 79.0%

2-benzofuran-1(3H)-one (87-41-2) → 2-(bromomethyl)benzoic acid (7115-89-1)

Guidance literature:

With acetic acid; acetic acid hydrobromide; at 70 ℃; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.orglett.1c04144

Reference yield: 54.0%

ortho-methylbenzoic acid (118-90-1) + N-Bromosuccinimide (128-08-5) → Succinimide (123-56-8,89963-74-6) + 2-(bromomethyl)benzoic acid (7115-89-1)

Guidance literature:

In chloroform; for 3h; Irradiation; Heating / reflux;

upstream raw materials:

ortho-methylbenzoic acid

2-benzofuran-1(3H)-one

2-(bromomethyl)benzoyl bromide

N-Bromosuccinimide

Downstream raw materials:

methyl 2-bromomethylbenzoate

2-benzofuran-1(3H)-one

2-(hydroxymethyl)benzoic acid

2-((di-tert-butylphosphino)methyl)benzoic acid hydrobromide

Refernces

• 1、 Zhao, Long,Yang, Mao-Lin,Sun, Mei,Ding, Ming-Wu. "One-Pot Synthesis of 3-(1,2,3,4-Tetrahydroisoquinolin-1-yl)-isoquinolin-1(2 H)-ones by DEAD-Promoted Oxidative Ugi-Wittig -Reaction Starting from Phosphonium Salt Precursors". supporting information. p. 66 - 69. Retrieved 2021/11/16.
• 2、 Saha, Tanmoy,Kand, Dnyaneshwar,Talukdar, Pinaki. "Performance comparison of two cascade reaction models in fluorescence off-on detection of hydrogen sulfide". . p. 1438 - 1446. Retrieved 2015/02/18.