CAS 898793-65-2

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

Description:

2-[3-(2,4-Dimethylphenyl)-1-oxopropyl]benzonitrile, with the CAS number 898793-65-2, is an organic compound characterized by its complex structure, which includes a benzonitrile moiety and a propanoyl group substituted with a 2,4-dimethylphenyl group. This compound typically exhibits properties common to aromatic nitriles, such as moderate to high melting and boiling points, depending on its specific molecular interactions. It is likely to be a solid at room temperature, with potential applications in pharmaceuticals or as an intermediate in organic synthesis due to its functional groups. The presence of the nitrile group suggests it may participate in nucleophilic reactions, while the ketone functionality could enable further chemical transformations. Additionally, the dimethylphenyl substituent may influence its solubility and reactivity, making it of interest in various chemical contexts. As with many organic compounds, safety data should be consulted to understand its handling and potential hazards.

Formula: C₁₈H₁₇NO

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

InChI key: InChIKey=UYMYQJXBOSIRSY-UHFFFAOYSA-N

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

Synonyms:

• Benzonitrile, 2-[3-(2,4-dimethylphenyl)-1-oxopropyl]-
• 2-[3-(2,4-Dimethylphenyl)-1-oxopropyl]benzonitrile

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

CAS: 898793-65-2

Formula: C₁₈H₁₇NO

Purity: 97.0%

Molecular weight: 263.34

Ref: 10-F206419