Methyl 2-bromo-6-methylbenzoate
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Methyl 2-bromo-6-methylbenzoate
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CAS No:
99548-56-8
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Formula:
C9H9BrO2
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Chemical Name:
Methyl 2-bromo-6-methylbenzoate
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Synonyms:
2-BROMO-6-METHYLBENZOIC ACID METHYL ESTER;Methyl 2-bromo-6-methylbenzoate;Methyl 6-bromo-o-toluate, 3-Bromo-2-(methoxycarbonyl)toluene;Benzoic acid, 2-broMo-6-Methyl-, Methyl ester
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CAS No:
Methyl 2-bromo-6-methylbenzoate Use and Manufacturing
To a suspension of 2-bromo-6-methyl benzoic acid (5.05 g, 23.48 mmol) in CHA solution of 2-bromo-6-methyl-benzoic acid Compound Ia (15.5 g, 72 mmol) in toluene / methanol (3/1, 360 mL) was treated with TMSCHNThe title compound was obtained from 2-bromo-6-methyl-benzoic acid according to Procedure G3 (quant. yield) : NMR ('H, CDC13) : 5 7.47 (t, 1H), 7.19-7. 23 (m, 2H), 4.03 (s, 3H), 2.40 (s, 3H). General Procedure 3 (G3): Methyl ester formation To the substituted benzoic acid in dry CH2CI2 (ca. 0.2-0. 5 M) containing catalytic DMF (ca. 0.1 eq. ) at 0 °C was added with stirring oxalyl chloride (1.3 eq. ). The ice bath was removed. After gas evolution had ceased (typically 1-2 h) volatiles were removed in vacuo. To the residue was added dry methanol (to give a ca. 1 M solution; CAUTION : on scales above ca. 5 mmol this involved a significant exotherme) and the mixture was kept for 16 h. The material obtained after evaporation of the volatiles was used as such or purified by column chromatography.
Computed Properties
Molecular Weight:229.07
XLogP3:2.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:227.97859
Monoisotopic Mass:227.97859
Topological Polar Surface Area:26.3
Heavy Atom Count:12
Complexity:170
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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