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HomeProduct name list3-bromo-5-methylbenzoic acid

3-bromo-5-methylbenzoic acid

3-bromo-5-methylbenzoic acid Structural

What is 3-bromo-5-methylbenzoic acid?

Chemical properties

Off-white powder

The Uses of 3-bromo-5-methylbenzoic acid

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).
synthesis of 3-bromo-5-methylbenzoic acid

Properties of 3-bromo-5-methylbenzoic acid

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
pka 3.88±0.10(Predicted)
color  Pale yellow

Safety information for 3-bromo-5-methylbenzoic acid

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for 3-bromo-5-methylbenzoic acid

InChIKey NWOMVQDBDBUANF-UHFFFAOYSA-N

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