Sodium; 6-oxo-2-thioxo-1,2,3,6-tetrahydro-pyrimidine-4-carboxylate | 28216-69-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: Sodium; 6-oxo-2-thioxo-1,2,3,6-tetrahydro-pyrimidine-4-carboxylate
• CAS: 28216-69-5
• 化学式: C₅H₃N₂O₃S*Na
• 分子量: 194.146
• InChiKey: BRQIBVPAUXYWKL-UHFFFAOYSA-M

反应信息

• 作为反应物：
  描述：

  dimethylthallium(III) hydroxide 、 Sodium; 6-oxo-2-thioxo-1,2,3,6-tetrahydro-pyrimidine-4-carboxylate 以 水 为溶剂， 生成
  参考文献：
  名称：

  Reaction of dimethylhydroxythallium(III) with 2-thioorotic acid. Crystal structure of dimethyl(2-thioorotato)thallium(III) monohydrate

  摘要：

  Reacting 2-thioorotic acid (H3Tot) and its monosodium salt with dimethylthallium(III) hydroxide yielded the compounds TlMe2H2Tot.H2O and (TlMe2)2HTot.2H2O, respectively. The monometallated compound crystallizes in the P2(1)/n space group with a = 9.539(4), b = 10.725(3), c = 10.892(3) angstrom, beta = 94.55(3)-degrees and Z = 4. The thallium atom is bonded to the methyl carbons and to one of the oxygens of the carboxylate group of a ligand molecule, and forms further weak bonds with a carbonylic oxygen, a carboxylic oxygen and a thiocarbonylic sulfur of other ligands, as well as with the oxygen of a water molecule. The coordination polyhedron about the thallium atom is a deformed pentagonal bipyramid with the methyl groups in the axial positions. In DMSO solution the compound behaves as a 1:1 electrolyte and the ligand signals of its H-1 and C-13 NMR spectra are analogous to those of NaH2Tot. The coordination characteristics of (TlMe2)2HTot.2H2O are compared with those of the monometallated compound on the basis of spectroscopic properties in the solid state (IR and Raman) and in solution (H-1 and C-13 NMR).

  DOI：

  10.1016/s0020-1693(00)85258-5