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

✍ Scribed by Ismail Yildirim; Fatma Kandemirli

Publisher
John Wiley and Sons
Year
2004
Tongue
English
Weight
126 KB
Volume
15
Category
Article
ISSN
1042-7163

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✦ Synopsis

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 H~2~O 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 ^13^C NMR, ^1^H 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. © 2003 Wiley Periodicals, Inc. Heteroatom Chem 15:9–14, 2004; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/hc.10204

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