Synthesis, Crystal Structure and Fragmentation Pathway of Arylcarboxy Ester of α-Hydroxyphosphonate

Some novel arylcarboxy esters of α-hydroxyphosphonate were synthesized via the reaction of α-hydroxyphosphonate with benzoic acid chloride or isonicotinic acid chloride. Their structures were confirmed by elemental analysis, IR, H NMR, C NMR, P NMR and mass spectra. The crystal structure of compound C1 was determined by X-ray diffractometer. The sodiated adduct of the title compounds appeared a novel rearrangement reaction by positive ion electrospray ionization mass spectrometry in conjunction with tandem mass spectrometry. A possible rearrangement mechanism was proposed.