Chemistry–A European Journal

DFT??HSAB Prediction of Regioselectivity in 1, 3??Dipolar Cycloadditions: Behavior of (4??Substituted) benzonitrile Oxides towards Methyl Propiolate

A Ponti, G Molteni

Index: Ponti, Alessandro; Molteni, Giorgio Chemistry - A European Journal, 2006 , vol. 12, # 4 p. 1156 - 1161

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Citation Number: 25

Abstract

Abstract The regioselectivity of 1, 3-dipolar cycloadditions between (4-substituted) benzonitrile oxides and methyl propiolate cannot be rationalized on the basis of the electron demand of the reactants or frontier molecular-orbital theory. To this problem, we have ...