Cobalt perchlorate hexahydrate catalyzed one‐pot synthesis of dihydropyrimidin‐ones/‐thiones through sonochemistry and its mechanistic study using density functional theory calculations

Abstract

AbstractA cobalt(II) perchlorate hexahydrate coordinated synthesis of dihydropyrimidin‐ones and ‐thiones through sonochemistry is developed. Herein, the reaction was demonstrated as a simple, efficient, and one‐pot method for synthesizing a series of interesting 3,4‐dihydropyrimidin‐2(1H)‐ones. Further, the reaction mechanism was investigated using mass spectrometry and density functional theory calculations suggesting that a Lewis acid character of cobalt(II) perchlorate hexahydrate plays a crucial role in coordinating carbonyl functionalities and stabilizing the polar intermediates like imine–enamine which further led to cyclized dihydropyrimidin‐ones and ‐thiones. This methodology was further explored to synthesize a gram‐scale synthesis of monastrol drug, a kinase inhibitor.