Journal of Molecular Structure

Nuclear magnetic resonance and molecular modeling study of exocyclic carbon–carbon double bond polarization in benzylidene barbiturates

JD Figueroa-Villar, AA Vieira

Index: Figueroa-Villar, J. Daniel; Vieira, Andreia A. Journal of Molecular Structure, 2013 , vol. 1034, p. 310 - 317

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Citation Number: 7

Abstract

Benzylidene barbiturates are important materials for the synthesis of heterocyclic compounds with potential for the development of new drugs. The reactivity of benzylidene barbiturates is mainly controlled by their exocyclic carbon–carbon double bond. In this work, the exocyclic double bond polarization was estimated experimentally by NMR and correlated with the Hammett σ values of the aromatic ring substituents and the molecular ...