Synthesis of 1‐phenyl‐3‐(quinolin‐8‐ylamino)prop‐2‐en‐1‐one and analysis of its structure by X‐ray crystallography, NMR, UV‐Vis spectroscopy and DFT calculations

Abstract

Abstract1‐phenyl‐3‐(quinolin‐8‐ylamino)prop‐2‐en‐1‐one was obtained by a two‐step synthesis. From X‐ray crystallography, NMR and UV‐vis spectra it follows that in the crystalline state and in solutions, regardless of the polarity of the solvent, 1‐phenyl‐3‐(quinolin‐8‐ylamino)prop‐2‐en‐1‐one exists in the ketone form of the cis‐isomer. DFT calculations confirmed that the cis‐isomer is the most energetically favorable among all its isomers.