CAS 898754-50-2

4-[2-(1-Azetidinylmethyl)benzoyl]benzonitrile

Description:

4-[2-(1-Azetidinylmethyl)benzoyl]benzonitrile, with the CAS number 898754-50-2, is a synthetic organic compound characterized by its complex structure, which includes a benzoyl group and a benzonitrile moiety. The presence of the azetidine ring suggests that it may exhibit unique steric and electronic properties, potentially influencing its reactivity and interactions with biological targets. This compound is likely to be a solid at room temperature, given its structural characteristics, and may exhibit moderate solubility in organic solvents. Its functional groups indicate potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, where it could serve as a lead compound or a building block for more complex molecules. The presence of the nitrile group may also impart specific chemical reactivity, making it a candidate for further functionalization. As with many synthetic compounds, safety and handling precautions should be observed, and its biological activity would need to be evaluated through appropriate assays to determine its efficacy and safety profile in potential applications.

Formula: C₁₈H₁₆N₂O

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

InChI key: InChIKey=BFMURANZQUXRSV-UHFFFAOYSA-N

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

Synonyms:

• Benzonitrile, 4-[2-(1-azetidinylmethyl)benzoyl]-
• 4-[2-(1-Azetidinylmethyl)benzoyl]benzonitrile