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


Onal Z., Saripinar E., Ilhan I.

JOURNAL OF HETEROCYCLIC CHEMISTRY, vol.38, no.2, pp.397-402, 2001 (Journal Indexed in SCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 38 Issue: 2
  • Publication Date: 2001
  • Doi Number: 10.1002/jhet.5570380214
  • Title of Journal : JOURNAL OF HETEROCYCLIC CHEMISTRY
  • Page Numbers: pp.397-402

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 stares, intermediates and final products of the reaction are calculated by the AMI method. Transition states are further confirmed by vibrational analysis (computation of force constants analytically) and characterized by the corresponding imaginary vibration modes and frequencies.