4-BROMO-2-FLUORO-5-METHYLBENZOIC ACID
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4-BROMO-2-FLUORO-5-METHYLBENZOIC ACID
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CAS No:
415965-24-1
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Formula:
C8H6BrFO2
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Chemical Name:
4-BROMO-2-FLUORO-5-METHYLBENZOIC ACID
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Synonyms:
4-Bromo-2-fluoro-5-methylbenzoic acid;4-Bromo-2-fluoro-5-methyl-benzoic acid;PubChem1365;SCHEMBL850439;CTK1D5498;KS-00000NZB;DTXSID50652912;ACT01054;BCP09568;ANW-54115
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CAS No:
4-BROMO-2-FLUORO-5-METHYLBENZOIC ACID Use and Manufacturing
Containing 4-bromo-2-fluoro-5-methyl benzoic acid (500 mg, 2.15 mmol) and DMF (0.05 ml) in methylene chloride with Oxalyl chloride solution (5 ml), and blended in to the It was stirred at room temperature for 1 hour. The reaction mixture was concentrated on a rotary evaporator and co-evaporated with methylene chloride again. The residue was dissolved in THF (7 ml) and with N, N- diisopropylethylamine (0.45 ml, 2.57 mmol) and 2-isopropyl-hydrazine carboxylic acid tertiary butyl ester (411 mg, 2.36 mmol) blended. The solution was stirred at room temperature for 1 hour. The reaction mixture was diluted with water and acidified with 1N hydrochloric acid to be. The mixture was extracted with ethyl acetate and the combined organic phase was washed with saturated aqueous sodium chloride wash, dried over sodium sulfate, filtered and concentrated in a rotary evaporator. This produced 825 mg (96% of theoretical value) subject compound, which was used without further purification.
Computed Properties
Molecular Weight:233.03
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:231.95352
Monoisotopic Mass:231.95352
Topological Polar Surface Area:37.3
Heavy Atom Count:12
Complexity:186
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-BROMO-2-FLUORO-5-METHYLBENZOIC ACID
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