Metal- and catalyst-free, one-pot, three-component synthesis of propargylamines in magnetized water: experimental aspects and molecular dynamics simulation

Abstract

Magnetized water (MW), as a green-promoting medium, is applied for the one-pot, metal- and catalyst-free, practical, efficient, and environmentally benign three-component reactions of aldehydes, amines, and alkynes. The salient features of this novel methodology are its simplicity, low cost, short reaction time, high reaction yield, easy work-up, and absence of hazardous organic solvents. Moreover, the molecular dynamics (MD) simulation as well as the experimental results confirm that MW leads to strong interactions between the reagents to produce the products. From another point of view, hydrogen bond interactions play a crucial role in conducting the reactions towards appropriate products.