Optimization and kinetic model of condensation of a secondary amine with a uracil derivative in the synthesis of 2-[(1-carbethoxy-4-piperidinyl) (methyl)amino]-1H-pyrimidin-4-one.

A series of experiments was performed in order to determine the reaction conditions of 2-(methylsulfanyl)pyrimidin-4(3H)-one [U] with 4-(methylamino)piperidine [A] affording 2-[(1-carbethoxy-4-piperidinyl)(methyl)amino]-1H-pyrimidin-4-one [P] in a high yield (80%) (Scheme 1). Two theoretical approaches i.e., the reaction response analysis and the modelling of reaction kinetics supported the experimental studies in order to control the reaction conditions.