New insights in the mechanism of the microwave-assisted Pauson-Khand reaction

作者：Rodriguez Antonio M^*; Prieto Pilar^*

来源：Tetrahedron, 2016, 72(47): 7443-7448.

DOI：10.1016/j.tet.2016.09.048

• Pauson-Khand reaction
• DFT calculation
• Stereoselectivity modification
• Microwave-assisted organic synthesis (MAOS)

A complete analysis of the stereoselectivity observed in the Pauson-Khand reaction has been performed using computational calculations. The differences observed in the stereoselectivity when this reaction is performed either by conventional means or under microwave conditions have also been studied. The mechanisms suggested by Magnus-Schore and by Gimbert were used as a model in this investigation. The outcomes show that the observed diastereoselectivity is consistent with the mechanism proposed by Gimbert et al. Moreover, the high activation energy of the process could be responsible for the observed improvement under microwave irradiation.

• 出版日期2016-11-24