Green one-pot multicomponent synthesis, biological evaluation and theoretical investigations of some novel β -acetamido ketone derivatives as potent cholinesterase inhibitors

A series of novel β -acetamido ketones have been prepared via a four-component condensation between aromatic aldehydes, enolizable ketones, acyl chloride and acetonitrile in the presence of 10 mol% of phenylboronic acid as a catalyst. The expected products have been obtained in good to excellent yields. In addition, in vitro cholinesterase inhibitory activity of title compounds has been studied and the results indicated that some compounds exhibited remarkable BChE activity. In order to gain insights into the molecular structure and chemical reactivity of the synthesized β -acetamido ketones, density functional theory (DFT) calculations were also carried out.