Methyl 2-bromobenzoate

Base Information

• Chemical Name: Methyl 2-bromobenzoate
• CAS No.: 610-94-6
• Molecular Formula: C8H7BrO2
• Molecular Weight: 215.046
• Hs Code.: 29163990
• European Community (EC) Number: 210-241-5
• NSC Number: 7318
• DSSTox Substance ID: DTXSID2060593
• Nikkaji Number: J96.120E
• Wikidata: Q72488387
• Mol file: 610-94-6.mol

Synonyms:METHYL 2-BROMOBENZOATE;610-94-6;Methyl o-bromobenzoate;2-Bromobenzoic Acid Methyl Ester;Benzoic acid, 2-bromo-, methyl ester;Methyl-2-bromobenzoate;MFCD00016328;Methyl2-Bromobenzoate;o-Bromobenzoic acid, methyl ester;Benzoic acid, o-bromo-, methyl ester;NSC 7318;EINECS 210-241-5;methyl bromobenzoate;methyl 2-bromo-benzoate;methyl-2-bromo benzoate;methyl-2-bromo-benzoate;methyl 2-bromanylbenzoate;SCHEMBL23659;Methyl 2-bromobenzoate, 98%;DTXSID2060593;NSC7318;2-bromo-benzoic acid methyl ester;2-bromobenzoic acid, methyl ester;2-bromo-benzoic acid, methyl ester;NSC-7318;STR07133;AC7864;STK397385;AKOS008907561;CS-W007744;AC-13649;SY001469;AM20060690;B0555;FT-0611534;EN300-80677;A833041;J-521972;Z19670137

Chemical Property of Methyl 2-bromobenzoate

Chemical Property:

• Appearance/Colour: Colorless or light yellow transparent liquid
• Vapor Pressure: 0.0368mmHg at 25°C
• Melting Point: 252°C
• Refractive Index: n20/D 1.559(lit.)
• Boiling Point: 241 °C at 760 mmHg
• Flash Point: 99.6 °C
• PSA: 26.30000
• Density: 1.498 g/cm³
• LogP: 2.23570
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: insoluble
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 213.96294
• Heavy Atom Count: 11
• Complexity: 147

Purity/Quality:

99% ^*data from raw suppliers

Methyl 2-bromobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Halogenated Esters
• Canonical SMILES: COC(=O)C1=CC=CC=C1Br
• Uses: Methyl 2-bromobenzoate under Heck reaction with acrylonitrile results in lactonization to give the benzofuran-2-one 3-(cyanomethyl)-2-coumaranone. It is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals

Technology Process of Methyl 2-bromobenzoate

There total 40 articles about Methyl 2-bromobenzoate 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: 99.0%

methanol (67-56-1) + 2-bromobenzoic-acid (88-65-3) → 2-bromobenzoic acid methyl ester (610-94-6)

Guidance literature:

With sulfuric acid; Reflux; Inert atmosphere;

DOI:10.1016/j.tetlet.2010.07.161

Reference yield: 98.0%

→ 2-bromobenzoic acid methyl ester (610-94-6)

Guidance literature:

With bromine; dibromoisocyanuric acid; In dichloromethane; at 20 ℃; for 24h; UV-irradiation;

Reference yield: 96.0%

methanol (67-56-1) + ortho-bromobenzaldehyde (6630-33-7) → 2-bromobenzoic acid methyl ester (610-94-6)

Guidance literature:

With perchloric acid; sodium percarbonate; vanadia; for 1.3h; Cooling;

DOI:10.1021/jo0266902

upstream raw materials:

methanol

2-bromobenzoic acid chloride

2-bromobenzoic-acid

bromobenzene

Downstream raw materials:

2-(5-hydroxypent-1-ynyl)benzoic acid methyl ester

methyl 2-<2-(1-hydroxycyclopentyl)ethynyl>benzoate

methyl 2-(3-phenoxyprop-1-yn-1-yl)benzoate

2-(2-bromophenyl)propanol

Refernces

• 1、 Cao, Xiao,Liu, Fang,Liu, Liwei,Liu, Tingting,Peng, Feng,Wang, Qifan,Xie, Chengwei,Xue, Wei,Yang, Jinsong. "Antibacterial and Antiviral Activities of 1,3,4-Oxadiazole Thioether 4H-Chromen-4-one Derivatives". . p. 11085 - 11094. Retrieved 2021/10/01.
• 2、 Gupta, Shyam Sunder R.,Vinu, Ajayan,Kantam, Mannepalli Lakshmi. "Ultrafine Copper Oxide Particles Dispersed on Nitrogen-Doped Hollow Carbon Nanospheres for Oxidative Esterification of Biomass-Derived 5-Hydroxymethylfurfural". . p. 259 - 269. Retrieved 2021/03/01.