On May 31, 2021, Kataev, V. A.; Mesheryakova, S. A.; Mesheryakova, E. S.; Tyumkina, T. V.; Khalilov, L. M.; Lazarev, V. V.; Kuznetsov, V. V. published an article.Computed Properties of 626-48-2 The title of the article was Synthesis, Structure, and Conformational Analysis of N-(2,4-Dichlorophenyl)-2-[6-methyl-2,4-dioxo-3-(thietan-3-yl)-1,2,3,4-tetrahydropyrimidine-1-yl]acetamide. And the article contained the following:
The reaction of 6-methyluracil with 2-chloromethyltiiran afforded 6-methyl-3-(thietan-3-yl)uracil. Its subsequent reaction with N-(2,6-dichlorophenyl)-2-chloroacetamide resulted in N-(2,4-dichlorophenyl)-2-[6-methyl-2,4-dioxo-3-(thietan-3-yl)-1,2,3,4-tetrahydropyrimidin-1-yl]acetamide, proved by X-ray anal., NMR and IR spectroscopy. Computer modeling at the PBE/3ζ, PBE/cc-pVDZ and PBE/SV(P) levels showed that its conformational behavior is determined by internal rotation of the thietanyl group both in the gas phase and in chloroform or DMSO solutions The experimental process involved the reaction of 6-Methylpyrimidine-2,4(1H,3H)-dione(cas: 626-48-2).Computed Properties of 626-48-2
The Article related to dichlorophenyl methyl dioxothietanyltetrahydropyrimidinyl acetamide preparation crystal structure conformational transformation, Heterocyclic Compounds (More Than One Hetero Atom): Pyrimidines and Quinazolines and other aspects.Computed Properties of 626-48-2
Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia