CAS 898780-29-5

4-[3-(3,5-Dimethylphenyl)-1-oxopropyl]benzonitrile

Description:

4-[3-(3,5-Dimethylphenyl)-1-oxopropyl]benzonitrile, with the CAS number 898780-29-5, is an organic compound characterized by its complex structure, which includes a benzonitrile moiety and a propanoyl group substituted with a 3,5-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 group may influence its physical properties, such as melting point and boiling point, as well as its chemical reactivity, potentially enhancing its lipophilicity. 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 precautions should be taken when handling it, as it may pose health risks or environmental hazards.

Formula: C₁₈H₁₇NO

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

InChI key: InChIKey=OAONDAMFZTWAOH-UHFFFAOYSA-N

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

Synonyms:

• Benzonitrile, 4-[3-(3,5-dimethylphenyl)-1-oxopropyl]-
• 4-[3-(3,5-Dimethylphenyl)-1-oxopropyl]benzonitrile

4′-cyano-3-(3,5-dimethylphenyl)propiophenone

CAS: 898780-29-5

Formula: C₁₈H₁₇NO

Purity: 97.0%

Molecular weight: 263.34

Ref: 10-F206633