New promising generation of phosphates α-aminophosphonates: Design, synthesis, in-vitro biological evaluation and computational study

A novel category of phosphate-phosphonate compounds is synthesized by a sequence multicomponent reactions strategy Kabachnik-Fields and Atherton-Todd reactions. All the designed products are obtained with good chemical yields in short reaction times, confirmed spectroscopy analyses. The diethyl [(4-diethylphosphate phenyl) (4-trifluoromethyl phenylamino) methyl] phosphonate 6g characterized single-crystal X-ray analysis. These exhibited strong antifungal effect, low inhibition AChE, no inhibitory activity on BChE, interesting antioxidant capacity. Results make them promising candidates as original organophosphorus pesticides. DFT calculations concerning relative stability various conformers, besides comparison measured calculated NMR spectra selected compounds; suggest that conformational interconversion can quite easily occur this type molecules, so many structures same compound coexist solution.