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.
Chmielowiec
Urszula
U
Pharmaceutical Research Institute, 8 Rydygiera Str., 01-793 Warsaw, Poland.
Leś
Andrzej
A
Szelejewski
Wiesław
W
D000465:Algorithms; D055598:Chemical Phenomena; D002627:Chemistry, Physical; D007700:Kinetics; D008956:Models, Chemical; D010880:Piperidines / Q000138:chemical synthesis*; D011744:Pyrimidinones / Q000138:chemical synthesis*; D014498:Uracil / Q000031:analogs & derivatives* / Q000138:chemical synthesis*
D010880:Piperidines; D011744:Pyrimidinones; D014498:Uracil