On March 2, 2017, Kubica, Dominika; Molchanov, Sergey; Gryff-Keller, Adam published an article.Reference of 5-(Hydroxymethyl)pyrimidine-2,4(1H,3H)-dione The title of the article was Solvation of Uracil and Its Derivatives by DMSO: A DFT-Supported 1H NMR and 13C NMR Study. And the article contained the following:
1H NMR and 13C NMR spectra of uracil, thymine, 5-hydroxymethyluracil, 5,6-dihydrouracil, and 5,6-dihydrothymine in DMSO-d6 solutions have been measured. Addnl., mol. structures as well as NMR parameters of these compounds and their various solvates have been calculated using DFT B3LYP/6-311++G(2d,p) PCM(DMSO) method. The anal. of the chem. shift data for these compounds has shown that, indeed, in DMSO solutions they occur as equilibrium mixtures of free mols. and solvates in which solute and solvent mols. are joined by NH···O or OH···O hydrogen bonds. The populations of particular species present in the solutions have been estimated Moreover, it has been found that 5,6-dihydrothymine exists in DMSO solution preferentially in conformation with the Me group occupying the pseudoequatorial position. This finding is based on the mol. energy calculations and remains in full agreement with the interpretation of NMR data and theor. calculations of NMR parameters. The experimental process involved the reaction of 5-(Hydroxymethyl)pyrimidine-2,4(1H,3H)-dione(cas: 4433-40-3).Reference of 5-(Hydroxymethyl)pyrimidine-2,4(1H,3H)-dione
The Article related to uracil thymine hydroxymethyluracil dihydrouracil dihydrothymine solvation dmso nmr dft, Phase Equilibriums, Chemical Equilibriums, and Solutions: Phase Equilibriums, Solubility and other aspects.Reference of 5-(Hydroxymethyl)pyrimidine-2,4(1H,3H)-dione
Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia