CAS 898764-17-5

2-(3,3-Dimethyl-1-oxobutyl)benzonitrile

Description:

2-(3,3-Dimethyl-1-oxobutyl)benzonitrile, identified by its CAS number 898764-17-5, is an organic compound characterized by its structure, which features a benzonitrile moiety attached to a branched alkyl chain. This compound typically exhibits properties common to nitriles, such as a high boiling point and moderate solubility in organic solvents. The presence of the benzonitrile group suggests potential applications in organic synthesis and pharmaceuticals, as nitriles can serve as intermediates in various chemical reactions. The branched alkyl chain contributes to its steric properties, potentially influencing its reactivity and interaction with biological systems. Additionally, the compound may exhibit specific functional characteristics, such as lipophilicity, which can affect its behavior in biological environments. Overall, 2-(3,3-Dimethyl-1-oxobutyl)benzonitrile is a compound of interest in the field of organic chemistry, particularly for its potential applications in drug development and material science.

Formula: C₁₃H₁₅NO

InChI: InChI=1S/C13H15NO/c1-13(2,3)8-12(15)11-7-5-4-6-10(11)9-14/h4-7H,8H2,1-3H3

InChI key: InChIKey=OYQMSIHPSQKJMX-UHFFFAOYSA-N

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

Synonyms:

• 2-(3,3-Dimethyl-1-oxobutyl)benzonitrile
• Benzonitrile, 2-(3,3-dimethyl-1-oxobutyl)-