Synthesis of thietanyl-substituted pyrimidine-2,4(1H,3H)-dions

Abstract

Reactions of 6-methylpyrimidine-2,4(1 H ,3 H )-dione or 5-hydroxy-6-methyl-pyrimidine-2,4(1 H,3H )-dione with 2-chloromethylthiirane afforded the corresponding substituted 1-(thietan-3-yl)pyrimidine-2,4(1 H ,3 H )-diones. The calculations in the framework of approximations PBE/3z, B3LYP/6-31G++(d,p) and MP2/6-31G++(d,p) showed that the alkylation occurred at the atom N 1 of the pyrimidine ring.