CAS 898768-57-5

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

Description:

4-[3-(4-Methylphenyl)-1-oxopropyl]benzonitrile, identified by its CAS number 898768-57-5, is an organic compound characterized by its complex structure, which includes a benzonitrile moiety and a propanoyl group substituted with a 4-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 that it may participate in various chemical reactions, including nucleophilic additions or condensation reactions. Additionally, the methyl group on the phenyl ring can influence the compound's electronic properties and steric hindrance, potentially affecting its reactivity and interactions with biological systems. Overall, this compound may have applications in pharmaceuticals or materials science, although specific applications would depend on further research into its biological activity and chemical behavior.

Formula: C₁₇H₁₅NO

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

InChI key: InChIKey=YLJADAJAHOTNPH-UHFFFAOYSA-N

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

Synonyms:

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

4′-cyano-3-(4-methylphenyl)propiophenone

CAS: 898768-57-5

Formula: C₁₇H₁₅NO

Purity: 97.0%

Molecular weight: 249.313

Ref: 10-F205732