R. Srivastava, M. C. Pereira, F. Hallwass
Feb 6, 2002
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Influential Citations
2
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Journal
Journal of Molecular Structure
Abstract
Abstract The synthesis of four tertiary amides 5a–d formed from 3-(phenyl-1,2,4-oxadiazol-5-yl)propionoyl chloride (3) and cyclic amines 4a–d is described. The structures of these compounds have been inferred from 1H and 13C NMR spectroscopy. Semi-empirical (AM1) molecular orbital calculations have been performed for these molecules to learn more about their stable molecular conformations. It was possible to carry out the ab initio (RHF/STO-3G) calculations for two conformers (Prl & Pr2) of 5a. Nuclear Overhauser Enhancement Spectroscopy (NOESY) and Exchange Spectroscopy (EXSY) experiments helped us to assign H-7 and to observe the position exchange of the methylene groups attached to amide nitrogen.