alfa-Bromoisovalericacid
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alfa-Bromoisovalericacid
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CAS No:
49628-52-6
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Formula:
C6H11BrO2
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Chemical Name:
alfa-Bromoisovalericacid
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Synonyms:
2-bromo-4-methylpentanoic acid;42990-24-9;2-bromo-4-methyl-pentanoic acid;Pentanoic acid, 2-bromo-4-methyl-;Valeric acid, 2-bromo-4-methyl-,;Bromisocapronsaure;2-bromoisocaproic acid;alpha-bromoisocaproic acid;SCHEMBL489804;2-bromo-4-methyl-valeric acid
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CAS No:
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
alfa-Bromoisovalericacid Use and Manufacturing
The dry bromine and phosphorus trichloride are mixed with dry 4-methylvaleric acid, heated to 80-85°C, reacted for 8-15 hours, heated to 100-105°C, and kept for another 2 hours. The reaction mixture was fractionally distilled, and 125-131°C (1.6kPa) fractions were collected to obtain 2-bromo-4-methylpentanoic acid with a yield of 63%-66%.
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:101
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes