B-(3-Bromo-5-methylphenyl)boronic acid
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B-(3-Bromo-5-methylphenyl)boronic acid
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CAS No:
849062-36-8
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Formula:
C7H8BBrO2
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Chemical Name:
B-(3-Bromo-5-methylphenyl)boronic acid
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Synonyms:
Boronic acid,B-(3-bromo-5-methylphenyl)-;Boronic acid,(3-bromo-5-methylphenyl)-;B-(3-Bromo-5-methylphenyl)boronic acid;3-Bromo-5-methylphenylboronic acid
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CAS No:
B-(3-Bromo-5-methylphenyl)boronic acid Use and Manufacturing
In a three-necked flask, 3, 5-dibromotoluene (20.0 g, 80.0 mmol) was added to dry tetrahydrofuran (100 mL).Under N2 protection, cool down to -78°C and slowly add tert-butyllithium (5.1g, 80.0mmol), keeping the temperature at -78°C.Triisopropyl borate (22.6 g, 120.0 mmol) was added over 30 min and the reaction was incubated for 2 h. After the reaction is complete, add water to quench, 2mol/L dilutedHydrochloric acid solution was adjusted to pH=6, extracted with ethyl acetate (50 mL×3), dried over anhydrous sodium sulfate, filtered, and the filtrate was evaporated under reduced pressure to remove the solvent.This was slurried with n-hexane (30 mL) and dried to give 15.6 g of 3-methyl-5-bromophenylboronic acid as a white solid. The yield is 90.7percent.
Computed Properties
Molecular Weight:214.85
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:213.98007
Monoisotopic Mass:213.98007
Topological Polar Surface Area:40.5
Heavy Atom Count:11
Complexity:132
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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B-(3-Bromo-5-methylphenyl)boronic acid
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