CAS 898754-40-0

2-[3-(2,6-Dimethylphenyl)-1-oxopropyl]benzonitrile

Description:

2-[3-(2,6-Dimethylphenyl)-1-oxopropyl]benzonitrile, with the CAS number 898754-40-0, is an organic compound characterized by its complex structure, which includes a benzonitrile moiety and a propanoyl group substituted with a 2,6-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 point and boiling point, as well as its chemical reactivity, potentially enhancing its lipophilicity. The compound may also exhibit interesting biological activities, making it of interest in pharmaceutical research. Its synthesis likely involves multi-step organic reactions, including acylation and nitrile formation. Overall, this compound's unique structure and functional groups contribute to its potential applications in various fields, including medicinal chemistry and materials science.

Formula: C₁₈H₁₇NO

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

InChI key: InChIKey=CYCAJOLVMFGIPH-UHFFFAOYSA-N

SMILES: C(CCC1=C(C)C=CC=C1C)(=O)C2=C(C#N)C=CC=C2

Synonyms:

• 2-[3-(2,6-Dimethylphenyl)-1-oxopropyl]benzonitrile
• Benzonitrile, 2-[3-(2,6-dimethylphenyl)-1-oxopropyl]-