CAS 898768-53-1

2-[3-(4-Methylphenyl)-1-oxopropyl]benzonitrile

Description:

2-[3-(4-Methylphenyl)-1-oxopropyl]benzonitrile, with the CAS number 898768-53-1, is an organic compound characterized by its complex structure, which includes a benzonitrile moiety and a propanoyl group substituted with a para-methylphenyl group. This compound typically exhibits properties common to aromatic nitriles, such as moderate solubility in organic solvents and potential reactivity due to the presence of the nitrile functional group. The presence of the ketone-like structure (1-oxopropyl) suggests it may participate in various chemical reactions, including nucleophilic additions or condensation reactions. Additionally, the methyl group on the phenyl ring can influence its electronic properties and steric hindrance, potentially affecting its reactivity and interactions with biological systems. As with many organic compounds, safety data should be consulted for handling and usage, as it may pose health risks or environmental hazards. Overall, this compound's unique structure may lend itself to applications in pharmaceuticals or materials science, depending on its specific properties and reactivity.

Formula: C₁₇H₁₅NO

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

InChI key: InChIKey=IZBLIZCVMINGAK-UHFFFAOYSA-N

SMILES: C(CCC1=CC=C(C)C=C1)(=O)C2=C(C#N)C=CC=C2

Synonyms:

• 2-[3-(4-Methylphenyl)-1-oxopropyl]benzonitrile
• Benzonitrile, 2-[3-(4-methylphenyl)-1-oxopropyl]-