CAS 898764-06-2

2-(1-Oxo-3-phenylpropyl)benzonitrile

Description:

2-(1-Oxo-3-phenylpropyl)benzonitrile, identified by its CAS number 898764-06-2, is an organic compound characterized by its complex structure, which includes a benzonitrile moiety and a ketone functional group. This compound typically exhibits properties associated with both aromatic and aliphatic systems, contributing to its potential reactivity and stability. The presence of the nitrile group (-C≡N) suggests that it may participate in nucleophilic addition reactions, while the ketone group (C=O) can engage in various chemical transformations, such as condensation or reduction. The phenyl groups in its structure can enhance its lipophilicity, potentially affecting its solubility in organic solvents. Additionally, the compound may exhibit interesting biological activities, making it a subject of interest in medicinal chemistry. Its synthesis and characterization would involve standard organic chemistry techniques, including spectroscopic methods like NMR and IR for structural elucidation. Overall, 2-(1-Oxo-3-phenylpropyl)benzonitrile represents a versatile compound with potential applications in various chemical and pharmaceutical contexts.

Formula: C₁₆H₁₃NO

InChI: InChI=1S/C16H13NO/c17-12-14-8-4-5-9-15(14)16(18)11-10-13-6-2-1-3-7-13/h1-9H,10-11H2

InChI key: InChIKey=JFEDUKJYCRYKIZ-UHFFFAOYSA-N

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

Synonyms:

• 2-(1-Oxo-3-phenylpropyl)benzonitrile
• Benzonitrile, 2-(1-oxo-3-phenylpropyl)-