Theoretical study on the hydration structures of ethanolamine and its dimer

Abstract

Although bioactive 2-azaspiro compounds were reported in recent years, there is a few numbers of effective synthetic methods. We found the synthesis of 2-azaspiro compound with the hypervalent iodine reagent in previous report. In this reaction, however, there is a significant substituent effect of allyl-group. The reaction mechanism is investigated by the stable structures of the phenoxenium ccation as a reaction intermediate by using the Hamiltonian algorithm.