Synthesis and Quantum Chemical Study of Novel Pyridine Derivative Derived from N-Substituted Coumarin

Abstract

Abstract This work includes a synthesis of 3-acetyl-7-hydroxy-2H-chromen-2-one (1) through the reaction of 2,4-dihydroxybenzaldehyde with ethyl acetoacetate, then reacted with 4-(dimethylamino) benzaldehyde to produce Coumarinyl Chalcone (2). And cyclization of Coumarinyl Chalcones (2) with malononitrile in the presence of ammonium acetate to produce 2-amino-4-(4-(dimethylamino) phenyl)-6-(7-hydroxy-2-oxo-2H-chromen-3-yl) nicotinonitrile (3). Prepared compounds were diagnosed through melting point, TLC, FT-IR Spectroscopy analysis and 1H-NMR. Quantum chemical parameters like highest occupied molecular orbital energy, lowest unoccupied molecular orbital energy (EHOMO while ELUMO), while dipole moment (μ) was interpretation.