CAS 898793-67-4

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

Description:

3-[3-(2,4-dimethylphenyl)propanoyl]benzonitrile, with the CAS number 898793-67-4, is an organic compound characterized by its complex structure that includes a benzonitrile moiety and a propanoyl group substituted with a 2,4-dimethylphenyl 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 dimethylphenyl substituent may influence its physical properties, such as melting and boiling points, as well as its reactivity in various chemical reactions. Additionally, the compound may exhibit biological activity, making it of interest in pharmaceutical research. Its synthesis likely involves multi-step organic reactions, including acylation and nitrile formation. As with many organic compounds, safety data should be consulted to understand its handling and potential hazards. Overall, this compound represents a specific class of organic molecules with potential applications in various fields, including medicinal chemistry and materials science.

Formula: C₁₈H₁₇NO

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

SMILES: Cc1ccc(CCC(=O)c2cccc(c2)C#N)c(C)c1