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, cilt.38, ss.397-402, 2001 (SCI İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 38 Konu: 2
  • Basım Tarihi: 2001
  • Doi Numarası: 10.1002/jhet.5570380214
  • Dergi Adı: JOURNAL OF HETEROCYCLIC CHEMISTRY
  • Sayfa Sayıları: ss.397-402

Özet

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.