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Merck
CN

560219

Sigma-Aldrich

2-溴-3-甲基苯甲酸

97%

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About This Item

线性分子式:
Br(CH3)C6H3COOH
CAS号:
分子量:
215.04
MDL编号:
UNSPSC代码:
12352100
PubChem化学物质编号:

方案

97%

mp

135-138 °C (lit.)

SMILES字符串

Cc1cccc(C(O)=O)c1Br

InChI

1S/C8H7BrO2/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4H,1H3,(H,10,11)

InChI key

LSRTWJCYIWGKCQ-UHFFFAOYSA-N

一般描述

2-Bromo-4-nitrotoluene is formed as an intermediate during the synthesis of 2-bromo-3-methylbenzoic acid. 2-Bromo-3-methylbenzoic acid can be obtained from 2-bromo-4-nitrotoluene via Von-Richter reaction.

应用

2-Bromo-3-methylbenzoic acid may be used to synthesize N-phenyl-3-methylanthranilic acid via copper-catalyzed amination reaction with aniline.

储存分类代码

11 - Combustible Solids

WGK

WGK 3

闪点(°F)

Not applicable

闪点(°C)

Not applicable

个人防护装备

Eyeshields, Gloves, type N95 (US)


历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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The von Richter Reaction. III. Substituent Effects1, 2.
Bunnett JF and Rauhut MM.
The Journal of Organic Chemistry, 21(9), 934-938 (1956)
2-Bromo-3-Methylbenzoic Acid.
Bunnett JF and Rauhut MM.
Organic Syntheses, 11-11 (1963)
Christian Wolf et al.
The Journal of organic chemistry, 71(8), 3270-3273 (2006-04-08)
A chemo- and regioselective copper-catalyzed cross-coupling procedure for amination of 2-bromobenzoic acids is described. The method eliminates the need for acid protection and produces N-aryl and N-alkyl anthranilic acid derivatives in up to 99% yield. N-(1-Pyrene)anthranilic acid has been employed

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