3-bromo-5-methylbenzoic acid Chemical Properties

Melting point:

178-179.5℃

Boiling point:

320.3±30.0 °C(Predicted)

Density 

1.599±0.06 g/cm3 (20 ºC 760 Torr)

storage temp. 

Sealed in dry,Room Temperature

form 

solid

pka

3.88±0.10(Predicted)

color 

Pale yellow

InChIKey

NWOMVQDBDBUANF-UHFFFAOYSA-N

Safety Information

HS Code 

2916310090

3-bromo-5-methylbenzoic acid Usage And Synthesis

Chemical Properties

Off-white powder

Uses

3-Bromo-5-methylbenzoic Acid is an intermediate used to synthesize quinoline amide derivatives as novel VEGFR-2 inhibitors

Synthesis

1-bromo-3,5-dimethylbenzene (15 g, 81 mmol, 1.0 eq) in a mixture of pyridine (133 mL) and H2O (83 mL) was heated to 80°C. KMnO4 (25.6 g, 162 mmol, 2.0 eq) was added in portions over 45 min. After the addition was completed, heating was continued at 80°C for 1.5 h. The hot solution was then filtered, and the filtrate was acidified by addition of concentrated hydrochloric acid. The aqueous solution was extracted with EtOAc and the combined organic extracts washed with water and brine, dried (Na2SO4), filtered and evaporated in vacuo. The residue was purified by column chromatography (CH2Cl2 : MeOH, 80:1 to 40:1) to give 3-bromo-5-methylbenzoic acid. White solid, yield (5.2 g, 29 %). LC-MS: m/z 212.9, 215 [M+H]+. 1H NMR (400 MHz, MeOD) δ 7.91 (s, 1H), 7.79 (s, 1H), 7.57 (s, 1H), 2.38 (s, 3H).

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