Collect. Czech. Chem. Commun. 1983, 48, 82-88

(E-Z) Isomerization of α,β-unsaturated ketones

Tomáš Vondrák and Miloš Procházka

Department of Organic Chemistry, Charles University, 128 40 Prague 2


Thermodynamic parameters have been determined for the (E-Z) equilibria of title ketones X-CH=CH-CO-CH3(X = Cl, CH3, OCH3); the energy difference of the isomers calculated by the MO CNDO/2 method for optimum conformations is lower than ΔH by 7-8 kJ mol-1.