CAS 898789-26-9

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

Description:

4-[3-(2-Methylphenyl)-1-oxopropyl]benzonitrile, identified by its CAS number 898789-26-9, is an organic compound characterized by its complex structure, which includes a benzonitrile moiety and a propanoyl group substituted with a 2-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. Its molecular structure indicates potential applications in pharmaceuticals or as an intermediate in organic synthesis, particularly in the development of biologically active compounds. Additionally, the presence of the methyl group on the phenyl ring may influence its electronic properties and steric hindrance, affecting its reactivity and interactions with other molecules. Overall, this compound represents a unique structure with potential utility in chemical research and development.

Formula: C₁₇H₁₅NO

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

InChI key: InChIKey=NILZTKPFUCYOMV-UHFFFAOYSA-N

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

Synonyms:

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