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Substituent effects on 15N and 13C NMR chemical shifts of 3-phenylisoxazoles: a theoretical and spectroscopic study

✍ Scribed by Mark H. Schofield; Marie-Adele Sorel; Ryan J. Manalansan; David P. Richardson; J. Hodge Markgraf

Publisher
John Wiley and Sons
Year
2006
Tongue
English
Weight
148 KB
Volume
44
Category
Article
ISSN
0749-1581

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✦ Synopsis

Abstract

The synthesis and assignment of ^15^N and ^13^C NMR signals of the isoxazole ring in a series of para‐substituted 3‐phenyl derivatives are reported. DFT calculations of ^15^N and ^13^C chemical shifts are presented and compared to observed values. Substituent effects are interpreted in terms of the Hammett correlation and calculated bond orders. Copyright © 2006 John Wiley & Sons, Ltd.

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