CAS 898764-08-4
:3-(1-Oxo-3-phenylpropyl)benzonitrile
Description:
3-(1-Oxo-3-phenylpropyl)benzonitrile, identified by its CAS number 898764-08-4, is an organic compound characterized by its structural features, which include a benzonitrile moiety and a phenylpropyl group with a ketone functional group. This compound typically exhibits a solid state at room temperature and is likely to be soluble in organic solvents due to its hydrophobic nature. The presence of the nitrile group (-C≡N) suggests potential reactivity, particularly in nucleophilic addition reactions, while the ketone group (C=O) can participate in various chemical transformations, including condensation and oxidation reactions. The compound may also display interesting biological activities, making it a subject of interest in medicinal chemistry. Its molecular structure contributes to its physical properties, such as melting point and boiling point, which are influenced by intermolecular forces like van der Waals interactions and dipole-dipole interactions. Overall, 3-(1-Oxo-3-phenylpropyl)benzonitrile is a versatile compound with potential applications in pharmaceuticals and organic synthesis.
Formula:C16H13NO
InChI:InChI=1S/C16H13NO/c17-12-14-7-4-8-15(11-14)16(18)10-9-13-5-2-1-3-6-13/h1-8,11H,9-10H2
InChI key:InChIKey=IXURKHAXPCDSMF-UHFFFAOYSA-N
SMILES:C(CCC1=CC=CC=C1)(=O)C2=CC(C#N)=CC=C2
Synonyms:- 3-(1-Oxo-3-phenylpropyl)benzonitrile
- Benzonitrile, 3-(1-oxo-3-phenylpropyl)-
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