CAS 898755-71-0

2-[3-(3,4-dimethylphenyl)propanoyl]benzonitrile

Description:

2-[3-(3,4-dimethylphenyl)propanoyl]benzonitrile, with the CAS number 898755-71-0, is an organic compound characterized by its complex structure, which includes a benzonitrile moiety and a propanoyl group attached to a substituted phenyl ring. 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 3,4-dimethylphenyl group suggests that it may have enhanced lipophilicity and could participate in various chemical reactions, including nucleophilic additions or substitutions. Its molecular structure may also influence its physical properties, such as melting and boiling points, as well as its behavior in biological systems, making it of interest in pharmaceutical and materials chemistry. Additionally, the compound may exhibit specific spectral characteristics in techniques like NMR and IR spectroscopy, aiding in its identification and characterization in research and industrial applications.

Formula: C₁₈H₁₇NO

InChI: InChI=1/C18H17NO/c1-13-7-8-15(11-14(13)2)9-10-18(20)17-6-4-3-5-16(17)12-19/h3-8,11H,9-10H2,1-2H3

SMILES: Cc1ccc(CCC(=O)c2ccccc2C#N)cc1C

2′-cyano-3-(3,4-dimethylphenyl)propiophenone

CAS: 898755-71-0

Formula: C₁₈H₁₇NO

Purity: 97.0%

Molecular weight: 263.34

Ref: 10-F206578