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Automated structure elucidation of two unexpected products in a reaction of an α,β-unsaturated pyruvate

✍ Scribed by Gary J. Sharman; Ian C. Jones; Mark P. Parnell; Michael C. Willis; Mary F. Mahon; Dean V. Carlson; Antony Williams; Mikhail Elyashberg; Kirill Blinov; Sergey G. Molodtsov

Publisher: John Wiley and Sons
Year: 2004
Tongue: English
Weight: 115 KB
Volume: 42
Category: Article
ISSN: 0749-1581
DOI: 10.1002/mrc.1396

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✦ Synopsis

Abstract

The reaction between an α,β‐unsaturated pyruvate and ethyl diazoacetate (EDA) yielded two unexpected products. The structures of these products were determined by automated elucidation of the chemical structures using spectroscopic inputs of a series of 1D and 2D NMR data using the computer program ACD/Structure Elucidator, StrucEluc. The formation of these products is rationalised. Their structures were also confirmed by x‐ray crystallography. Copyright © 2004 John Wiley & Sons, Ltd.

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