CAS 898754-46-6

4-[3-(2,6-Dimethylphenyl)-1-oxopropyl]benzonitrile

Description:

4-[3-(2,6-Dimethylphenyl)-1-oxopropyl]benzonitrile, with the CAS number 898754-46-6, 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 to high stability under standard conditions, and it may possess a relatively high melting point due to the presence of multiple aromatic rings. The presence of the nitrile functional group (-C≡N) suggests potential reactivity in nucleophilic addition reactions, while the ketone-like structure may allow for further chemical transformations. Additionally, the dimethylphenyl substituent can influence the compound's solubility and polarity, making it potentially useful in various applications, including pharmaceuticals and organic synthesis. Its specific characteristics, such as solubility, reactivity, and biological activity, would depend on the surrounding conditions and the presence of other functional groups in a given reaction or application context.

Formula: C₁₈H₁₇NO

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

InChI key: InChIKey=QYAKRKHAEYTLKP-UHFFFAOYSA-N

SMILES: C(CC(=O)C1=CC=C(C#N)C=C1)C2=C(C)C=CC=C2C

Synonyms:

• 4-[3-(2,6-Dimethylphenyl)-1-oxopropyl]benzonitrile
• Benzonitrile, 4-[3-(2,6-dimethylphenyl)-1-oxopropyl]-
• 4'-CYANO-3-(2,6-DIMETHYLPHENYL)PROPIOPHENONE
• 4-[3-(2,6-dimethylphenyl)propanoyl]benzonitrile

4′-cyano-3-(2,6-dimethylphenyl)propiophenone

CAS: 898754-46-6

Formula: C₁₈H₁₇NO

Purity: 97.0%

Molecular weight: 263.34

Ref: 10-F206527