CAS 898754-43-3

3-[3-(2,6-dimethylphenyl)propanoyl]benzonitrile

Description:

3-[3-(2,6-dimethylphenyl)propanoyl]benzonitrile, with the CAS number 898754-43-3, is an organic compound characterized by its complex structure, which includes a benzonitrile moiety and a propanoyl group attached to a 2,6-dimethylphenyl substituent. This compound typically exhibits properties associated with aromatic compounds, such as stability and potential for pi-stacking interactions due to its conjugated system. The presence of the nitrile group (-C≡N) contributes to its polarity and can influence its solubility in various solvents. Additionally, the dimethyl substitution on the phenyl ring can affect its steric hindrance and electronic properties, potentially impacting its reactivity and interactions in chemical processes. Such compounds may be of interest in pharmaceutical research or material science due to their unique structural features, which can lead to specific biological activities or applications in organic synthesis. As with many organic compounds, safety and handling precautions should be observed, particularly regarding its potential toxicity and reactivity.

Formula: C₁₈H₁₇NO

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

SMILES: Cc1cccc(C)c1CCC(=O)c1cccc(c1)C#N