CAS 898768-55-3

3-[3-(p-tolyl)propanoyl]benzonitrile

Description:

3-[3-(p-Tolyl)propanoyl]benzonitrile, with the CAS number 898768-55-3, is an organic compound characterized by its complex structure that includes a benzonitrile moiety and a p-tolyl propanoyl group. This compound features a cyano group (-CN) attached to a benzene ring, which contributes to its chemical reactivity and potential applications in organic synthesis. The presence of the p-tolyl group, derived from toluene, indicates that the compound may exhibit hydrophobic characteristics, influencing its solubility in various solvents. Additionally, the propanoyl group introduces a carbonyl functionality, which can participate in various chemical reactions, such as nucleophilic additions. The compound's structural features suggest potential applications in pharmaceuticals or as intermediates in organic synthesis. Its specific physical properties, such as melting point, boiling point, and solubility, would need to be determined experimentally, as they can vary based on purity and environmental conditions. Overall, this compound represents a unique structure that may be of interest in chemical research and development.

Formula: C₁₇H₁₅NO

InChI: InChI=1/C17H15NO/c1-13-5-7-14(8-6-13)9-10-17(19)16-4-2-3-15(11-16)12-18/h2-8,11H,9-10H2,1H3

SMILES: Cc1ccc(cc1)CCC(=O)c1cccc(c1)C#N