Abstract

Sandra Cotes*¹ and José Cotuá²

DOI : http://dx.doi.org/10.13005/ojc/310410

The potential energy surface in Robinson’s tropinone synthesis was calculated using molecular modeling tools. The reaction mechanism was studied, and the stability of the accepted reactive species was evaluated. The findings indicated the amino alcohol intermediate had greater stability than the other proposed intermediates. It was also found that in the presence of dicarboxylic acetone, the activation energy decreased by 69.30 kcal/mol compared to that of the reaction in the presence of acetone.

Robinson´s tropinone synthesis; reaction mechanism; potential energy surface

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