CAS 898789-24-7

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

Description:

3-[3-(2-Methylphenyl)-1-oxopropyl]benzonitrile, with the CAS number 898789-24-7, is an organic compound characterized by its complex structure that 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. Additionally, the aromatic rings contribute to its stability and may influence its electronic properties, making it of interest in fields such as medicinal chemistry or materials science. The compound's specific characteristics, including melting point, boiling point, and spectral data, would require experimental determination or reference to detailed chemical databases for precise values.

Formula: C₁₇H₁₅NO

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

InChI key: InChIKey=XVJRUDQLRWRQRD-UHFFFAOYSA-N

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

Synonyms:

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

3′-cyano-3-(2-methylphenyl)propiophenone

CAS: 898789-24-7

Formula: C₁₇H₁₅NO

Purity: 97.0%

Molecular weight: 249.313

Ref: 10-F205625