2-Bromo-3-methylvalericacid
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2-Bromo-3-methylvalericacid
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CAS No:
42880-22-8
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Formula:
C6H11BrO2
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Chemical Name:
2-Bromo-3-methylvalericacid
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Synonyms:
2-bromo-3-methylpentanoic acid;2-BROMO-3-METHYLVALERIC ACID;NSC91786;NCIOpen2_001296;2-bromo-3-methyl-valeric acid;SCHEMBL6379756;CTK1D8850;DTXSID10293729;alpha-bromo-3-methylpentanoic acid;Pentanoicacid, 2-bromo-3-methyl-
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CAS No:
2-Bromo-3-methylvalericacid Use and Manufacturing
Diethyl sec-butylmalonate is saponified and brominated to obtain sec-butylbromomalonic acid, which is refluxed and decarboxylated at 130°C and distilled under reduced pressure to obtain 2-bromo-3-methylpentanoic acid.
Organic synthesis intermediate.
Computed Properties
Molecular Weight:195.05
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:193.99424
Monoisotopic Mass:193.99424
Topological Polar Surface Area:37.3
Heavy Atom Count:9
Complexity:103
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes