2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium-9-olate;lanthanum(3+);dinitrate;perchlorate | 550312-03-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并吡啶类
• 英文名称: 2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium-9-olate;lanthanum(3+);dinitrate;perchlorate
• CAS: 550312-03-3
• 化学式: C₁₀H₁₀LaN₄O₇*ClO₄
• 分子量: 536.568
• InChiKey: DJPRRRSIEHZHNK-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -4.72
• 重原子数：
  27
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  240
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  lanthanum(III) nitrate hexahydrate 、 9-羟基-2,4-二甲基吡啶并[1,2-a]嘧啶-5-鎓高氯酸盐 以 乙醇 为溶剂， 以30%的产率得到2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium-9-olate;lanthanum(3+);dinitrate;perchlorate
  参考文献：
  名称：

  摘要：

  Complexes of scandium, yttrium, and lanthanum nitrates with 3-chloro-9-hydroxy-2,4-dimethylpyrido[1,2-a]pyrimidinium perchlorate ((HLClO4)-Cl-1) and 9-hydroxy-2,4-dimethylpyrido[1,2-a]pyrimidinium perchlorate ((HLClO4)-Cl-2) were obtained. Their composition was formulated as Sc(LClO4)(2)(NO3) and M(LClO4)(2)(NO3)(2) (L = L-1 or L-2; M =Y or La); structures for the complexes obtained were proposed. The crystal and molecular structure of (HLClO4)-Cl-1 was determined. Dissociation and complexation of (HLClO4)-Cl-1 and (HLClO4)-Cl-2 in aqueous ethanol were studied using the spectroscopic method. Ligand dissociation and complexation constants were calculated. It was shown that a chlorine-containing organic ligand only slightly changes the composition and stability of the metal complexes.

  DOI：

  10.1023/a:1022342202587