CAS 7218-49-7

4-phenylbut-3-ynoic acid

Description:

4-Phenylbut-3-ynoic acid is an organic compound characterized by its unique structure, which includes a phenyl group attached to a butynoic acid backbone. This compound features a triple bond between the third and fourth carbon atoms of the butanoic acid chain, contributing to its reactivity and potential applications in organic synthesis. The presence of the carboxylic acid functional group (-COOH) imparts acidic properties, allowing it to participate in various chemical reactions, such as esterification and amidation. 4-Phenylbut-3-ynoic acid is typically a solid at room temperature and may exhibit moderate solubility in organic solvents, depending on the specific conditions. Its molecular structure allows for potential interactions in biological systems, making it of interest in medicinal chemistry and material science. Additionally, the compound's unique features may enable it to serve as a building block for more complex molecules in synthetic organic chemistry. Safety data should be consulted for handling and storage, as with all chemical substances.

Formula: C₁₀H₈O₂

InChI: InChI=1/C10H8O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,8H2,(H,11,12)

SMILES: c1ccc(cc1)C#CCC(=O)O

4-Phenylbut-3-ynoic acid

CAS: 7218-49-7

4-Phenylbut-3-ynoic acid is a mixture of two stereoisomers that are obtained by the reaction of but-3-yne with phenylhalide. The mixture is used as a ligand in asymmetric synthesis and catalytic reactions. 4-Phenylbut-3-ynoic acid is also used as a reagent in organic syntheses, such as alkenylations, to produce an optically pure alkene product. 4-Phenylbut-3-ynoic acid has been shown to be selective for the desired stereoisomer.

Formula: C₁₀H₈O₂

Purity: Min. 95%

Molecular weight: 160.17 g/mol

Ref: 3D-HAA21849