CAS 898769-14-7

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

Description:

3-[3-(2,3-Dimethylphenyl)-1-oxopropyl]benzonitrile, with the CAS number 898769-14-7, is a chemical 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 associated with organic 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 and boiling points, as well as its reactivity in various chemical reactions. Additionally, compounds of this nature may exhibit biological activity, making them of interest in pharmaceutical research. The specific characteristics, including spectral data (NMR, IR, etc.), melting point, and solubility, would require empirical measurement or literature reference for precise values. Overall, this compound represents a class of organic molecules that can be utilized in synthetic chemistry and medicinal applications.

Formula: C₁₈H₁₇NO

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

InChI key: InChIKey=KGHJQVWKEMDCIP-UHFFFAOYSA-N

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

Synonyms:

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

3′-cyano-3-(2,3-dimethylphenyl)propiophenone

CAS: 898769-14-7

Formula: C₁₈H₁₇NO

Purity: 97.0%

Molecular weight: 263.34

Ref: 10-F206367