Experimental and theoretical studies on some new pyrrol-2,3-diones formation


Yildirim I. , Kandemirli F.

HETEROATOM CHEMISTRY, vol.15, no.1, pp.9-14, 2004 (Journal Indexed in SCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 15 Issue: 1
  • Publication Date: 2004
  • Doi Number: 10.1002/hc.10204
  • Title of Journal : HETEROATOM CHEMISTRY
  • Page Numbers: pp.9-14

Abstract

4-Benzoyl-5-phenyl-2,3-furandione (1) reacts with asymmetric disubstituted urea derivatives like 1,1-dimethylurea (2a) and 1,1-diethylurea (2b) by the elimination of a H2O molecule to give the 4-benzoyl-1-(N,N-dialkylcarbamyl)-5-phenyl-2,3-pyrroldiones 3a and 3b. The structures of 3a,b were determined by the C-13 NMR, H-1 NMR, IR spectroscopic data and elemental analyses. The electronic structures of the reactants, their transition states' intermediate states, and final products of the reactions were investigated on the basis of AM1 and ab initio (DFT) methods. (C) 2003 Wiley Periodicals, Inc.