The theoretical and experimental investigation of the halogencyclenes' phosphorylation

Abstract

The phosphorylation reactions of the oxygen- and nitrogen-containing halocyclenes - 3,4-dichloro-5-hydroxyfuranone, 3,4-dichloro-5-substituted pyrrolinon-2-ones and N-phenyl-4,5 dichloropyridazin-2-one by σ3-phosphorus compounds - trialkylphoshphites, triphenylphosphine, and some P-functionalized derivatives of the trivalent phosphorus are studied. The reactions' mechanisms are discussed; the possible and preferable reactions' routes and the relative thermodynamic stabilities of the products and intermediates are estimated via the quantum-chemical methods.