2-Bromo-4-fluoro-5-methylbenzoic acid

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2-Bromo-4-fluoro-5-methylbenzoic acid Basic information
Product Name:2-Bromo-4-fluoro-5-methylbenzoic acid
Synonyms:Benzoic acid, 2-bromo-4-fluoro-5-methyl-;2-Bromo-4-fluoro-5-methylbenzoic acid
CAS:1003709-39-4
MF:C8H6BrFO2
MW:233.03
EINECS:
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Mol File:Mol File
2-Bromo-4-fluoro-5-methylbenzoic acid Structure
2-Bromo-4-fluoro-5-methylbenzoic acid Chemical Properties
Boiling point 309.0±42.0 °C(Predicted)
density 1.680±0.06 g/cm3(Predicted)
storage temp. Sealed in dry,Room Temperature
pka2.86±0.10(Predicted)
AppearanceWhite to off-white Solid
Safety Information
HS Code 2916399090
MSDS Information
2-Bromo-4-fluoro-5-methylbenzoic acid Usage And Synthesis
Synthesis
2-BROMO-4-FLUORO-5-METHYL BENZALDEHYDE

916792-17-1

2-BROMO-4-FLUORO-5-METHYLBENZOIC ACID

1003709-39-4

2-Bromo-4-fluoro-5-methylbenzaldehyde (purchased from 3B Scientific Corporation, 1840 Industrial Drive, Suite 160, Libertyville, IL 60048, USA; 1.0 g, 4.61 mmol) was used as a raw material, which was mixed with sulfamic acid (2.68 g 27.65 mmol), sodium chlorite (539 mg, 6 mmol) and KH2PO4 (7.52 g, 55.3 mmol) in a 50% aqueous dioxane solution (96 mL). The reaction mixture was stirred overnight at room temperature. After the reaction was completed, the mixture was concentrated and diluted with water (20 mL). The resulting mixture was extracted with ethyl acetate (3 x 250 mL). The organic layers were combined, dried over anhydrous sodium sulfate, filtered and the solvent evaporated to give 2-bromo-4-fluoro-5-methylbenzoic acid (1.0 g, 93% yield) as an off-white solid. Mass spectrometry analysis: calculated value C8H6BrFO2 [M-H] 231, measured value 231.0.

References[1] Patent: WO2014/76104, 2014, A1. Location in patent: Page/Page column 76
2-Bromo-4-fluoro-5-methylbenzoic acid Preparation Products And Raw materials
Raw materials2-Bromo-4-fluoro-5-methyl benzaldehyde-->Potassium Phosphate Monobasic-->Sulfamic acid-->1,4-Dioxane-->Water-->Sodium chlorite
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