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CAS 13490-69-2

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(2S)-3-Methyl-2-phenylbutanoic acid

Description:
(2S)-3-Methyl-2-phenylbutanoic acid, also known as phenylisobutyric acid, is an organic compound characterized by its chiral center, which contributes to its stereochemistry. This compound features a branched aliphatic chain with a carboxylic acid functional group, making it a member of the fatty acid family. It has a molecular structure that includes a methyl group and a phenyl group attached to a butanoic acid backbone, which influences its physical and chemical properties. Typically, it is a white to off-white solid at room temperature and is soluble in organic solvents but has limited solubility in water due to its hydrophobic phenyl group. The presence of the carboxylic acid group allows it to participate in various chemical reactions, including esterification and amidation. Its chiral nature means that it can exhibit different biological activities depending on its stereoisomer, making it of interest in pharmaceutical and biochemical research. Additionally, it may have applications in organic synthesis and as a building block in the development of more complex molecules.
Formula:C11H14O2
InChI:InChI=1/C11H14O2/c1-8(2)10(11(12)13)9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H,12,13)/t10-/m0/s1
SMILES:CC(C)[C@@H](c1ccccc1)C(=O)O
Synonyms:
  • benzeneacetic acid, alpha-(1-methylethyl)-, (alphaS)-
  • (αS)-α-Isopropylbenzeneacetic acid
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