CAS 898754-44-4

2-[2-(1-Azetidinylmethyl)benzoyl]benzonitrile

Description:

2-[2-(1-Azetidinylmethyl)benzoyl]benzonitrile, with the CAS number 898754-44-4, is a chemical compound that features a complex structure characterized by the presence of both a benzoyl group and a benzonitrile moiety. The compound contains an azetidine ring, which is a four-membered nitrogen-containing heterocycle, contributing to its unique chemical properties. This compound is likely to exhibit moderate to high lipophilicity due to its aromatic components, which can influence its solubility and permeability in biological systems. The presence of the nitrile functional group may impart specific reactivity, making it a potential candidate for various chemical reactions, including nucleophilic additions. Additionally, the azetidine ring may provide interesting pharmacological properties, as compounds containing such rings are often explored in medicinal chemistry for their biological activity. Overall, this compound's structural features suggest potential applications in drug development or as a synthetic intermediate in organic chemistry. However, specific biological activity and safety profiles would require further investigation through empirical studies.

Formula: C₁₈H₁₆N₂O

InChI: InChI=1S/C18H16N2O/c19-12-14-6-1-3-8-16(14)18(21)17-9-4-2-7-15(17)13-20-10-5-11-20/h1-4,6-9H,5,10-11,13H2

InChI key: InChIKey=LVHDPAJXIQUJPS-UHFFFAOYSA-N

SMILES: C(C1=C(C(=O)C2=C(C#N)C=CC=C2)C=CC=C1)N3CCC3

Synonyms:

• Benzonitrile, 2-[2-(1-azetidinylmethyl)benzoyl]-
• 2-[2-(1-Azetidinylmethyl)benzoyl]benzonitrile