Reactions of 1‐amino‐5‐benzoyl‐4‐phenyl‐1H‐pyrimidine‐2‐one with carboxylic anhydrides: Experimental data and AM1 calculations

Abstract

1-Amino-5-benzoyl-4-phenyl-1H-pyrimidine-2-one 1 reacts with several carboxylic anhydrides 2a-d under different conditions and gives new amide and imide derivatives. The structure of these compounds, 3a-d, are determined by spectroscopic methods. Electronic and geometric structures of reactants, transition states, intermediates and final products of the reaction are calculated by the AM1 method. Transition states are further confirmed by vibrational analysis (computation of force constants analytically) and characterized by the corresponding imaginary vibration modes and frequencies.

Chromone Containing Hybrid Analogs: Synthesis and Applications in Medicinal Chemistry

“…There are many drugs in clinics containing pyrimidine scaffold, for treating various diseases, [18,19] examples includes fluorouracil, rosuvastatin, avanafil, etravirine, etc. In addition, many of the chromone-containing heterocyclic analogs have also been reported as potential anti-cancer agents.…”