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

✍ Scribed by Zülbiye Önal; Emin Sanpinar; Ilhan Özer İlhan

Publisher: Journal of Heterocyclic Chemistry
Year: 2001
Tongue: English
Weight: 74 KB
Volume: 38
Category: Article
ISSN: 0022-152X
DOI: 10.1002/jhet.5570380214

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✦ Synopsis

Abstract

1‐Amino‐5‐benzoyl‐4‐phenyl‐1__H__‐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.

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