CAS 898755-76-5

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

Description:

4-[3-(3,4-Dimethylphenyl)-1-oxopropyl]benzonitrile, with the CAS number 898755-76-5, is an organic compound characterized by its complex structure, which includes a benzonitrile moiety and a propanoyl group substituted with a 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 can influence its electronic properties and steric hindrance, potentially affecting its reactivity and interactions in chemical reactions. Additionally, compounds of this nature may exhibit biological activity, making them of interest in pharmaceutical research. The molecular structure suggests potential applications in organic synthesis and medicinal chemistry, where modifications to the aromatic rings can lead to diverse derivatives with varying properties. As with many organic compounds, safety and handling precautions should be observed due to potential toxicity or reactivity.

Formula: C₁₈H₁₇NO

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

InChI key: InChIKey=KBOCCBSEYVBVGX-UHFFFAOYSA-N

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

Synonyms:

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

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

CAS: 898755-76-5

Formula: C₁₈H₁₇NO

Purity: 97.0%

Molecular weight: 263.34

Ref: 10-F206580