Open AccessSynthesis and Quantum Chemical Study of Novel Pyridine Derivative Derived from N-Substituted Coumarin
Author(s) -
Hiba H. Ibraheem,
Mariam M. Mohammed,
Yasameen K. Al-Majedy
Publication year - 2021
Publication title -
journal of physics. conference series
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.21
H-Index - 85
eISSN - 1742-6596
pISSN - 1742-6588
DOI - 10.1088/1742-6596/1795/1/012024
Subject(s) - malononitrile , chemistry , chalcone , ethyl acetoacetate , benzaldehyde , ammonium acetate , coumarin , pyridine , molecular orbital , quantum chemical , organic chemistry , medicinal chemistry , molecule , high performance liquid chromatography , catalysis
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 1 H-NMR. Quantum chemical parameters like highest occupied molecular orbital energy, lowest unoccupied molecular orbital energy (EHOMO while ELUMO), while dipole moment (μ) was interpretation.