CAS 898780-23-9

2-[3-(3,5-Dimethylphenyl)-1-oxopropyl]benzonitrile

Description:

2-[3-(3,5-Dimethylphenyl)-1-oxopropyl]benzonitrile, with the CAS number 898780-23-9, 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 nitriles, such as being a polar solvent and having a relatively high boiling point due to the presence of multiple aromatic rings. The presence of the dimethylphenyl group contributes to its hydrophobic characteristics, while the nitrile functional group can engage in hydrogen bonding and dipole interactions. This compound may be of interest in pharmaceutical research or organic synthesis due to its potential biological activity and ability to serve as a building block for more complex molecules. Its stability and reactivity can be influenced by the electronic effects of the substituents on the aromatic rings, making it a subject of interest in medicinal chemistry and materials science.

Formula: C₁₈H₁₇NO

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

InChI key: InChIKey=SFIAPBVXEPAHKO-UHFFFAOYSA-N

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

Synonyms:

• Benzonitrile, 2-[3-(3,5-dimethylphenyl)-1-oxopropyl]-
• 2-[3-(3,5-Dimethylphenyl)-1-oxopropyl]benzonitrile

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

CAS: 898780-23-9

Formula: C₁₈H₁₇NO

Purity: 97.0%

Molecular weight: 263.34

Ref: 10-F206631