Notario, Rafael published the artcileThermochemistry of Uracils. Experimental and Computational Enthalpies of Formation of 5,6-Dimethyl-, 1,3,5-Trimethyl-, and 1,3,5,6-Tetramethyluracils, Application In Synthesis of 608-34-4, the publication is Journal of Physical Chemistry A (2013), 117(1), 244-251, database is CAplus and MEDLINE.
An exptl. and computational study of three methylated uracils, in particular, the 5,6-dimethyl-, 1,3,5-trimethyl-, and 1,3,5,6-tetra-Me derivatives are presented. The values of the standard (p0 = 0.1 MPa) molar enthalpies of formation in the gas phase at T = 298.15 K have been determined The energies of combustion were measured by static bomb combustion calorimetry, and from the results obtained, the standard molar enthalpies of formation in the crystalline state at T = 298.15 K were calculated The enthalpies of sublimation were determined using the transpiration method in a saturated N2 stream. Values of -(376.2 ± 2.6), -(355.9 ± 3.0), and -(381.7 ± 2.8) kJ·mol-1 for the gas-phase enthalpies of formation at T = 298.15 K of 5,6-dimethyluracil, 1,3,5-trimethyluracil, and 1,3,5,6-tetramethyluracil, resp., were obtained from the exptl. thermochem. study. An extended theor. study with the G3 and the G4 quantum-chem. methods has been carried out for all the possible methylated uracils. There is very good agreement between exptl. and calculated enthalpies of formation for the three derivatives studied. A Free-Wilson anal. on G4-calculated enthalpies of formation has been carried out, and the contribution of methylation in the different positions of the uracil ring has been estimated
Journal of Physical Chemistry A published new progress about 608-34-4. 608-34-4 belongs to pyrimidines, auxiliary class Pyrimidine,Amide, name is 3-Methylpyrimidine-2,4(1H,3H)-dione, and the molecular formula is C5H6N2O2, Application In Synthesis of 608-34-4.
Referemce:
https://pubchem.ncbi.nlm.nih.gov/compound/Pyrimidine,
Pyrimidine – Wikipedia