tri-2-pyrimidylamine | 153467-51-7

• 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: tri-2-pyrimidylamine
• 英文别名: tripm；N,N-di(pyrimidin-2-yl)pyrimidin-2-amine
• CAS: 153467-51-7
• 化学式: C₁₂H₉N₇
• 分子量: 251.25
• InChiKey: QUCMJTGKEAPYPO-UHFFFAOYSA-N

物化性质

• 沸点：
  543.8±33.0 °C(Predicted)
• 密度：
  1.396±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  80.6
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  tris(triphenylphosphine)ruthenium(II) chloride 、 tri-2-pyrimidylamine 以 甲醇 为溶剂， 以80%的产率得到[RuCl2(PPh3)2(κ2-(tri-2-pyrimidylamine))]
  参考文献：
  名称：

  Dipyrimidylamine and tripyrimidylamine as chelating N-donor ligands

  摘要：

  Dipyrimidylamine (dipm) and tripyrimidylamine (tripm) are reported. A bidentate tripm ruthenium complex, [RuCl(eta (6)-p-cymene)(kappa (2)-tripm)]SbF6, is synthesized and structurally characterized. The presence of an intramolecular C-H . . .N hydrogen bond is proposed between the cymene C-H and a ring nitrogen in an uncoordinated pyrimidine ring. IR data on [Mo(CO)(4)(dipm)] suggest that the Tolman electronic parameter of the dipm ligand is similar to that of 2 x PPh3. M-L bonding may be weaker for pyrimidine versus pyridine because kappa (2)-tripm complexation is apparently more favorable relative to the kappa (3)-form than is the case for tripyridylamine. (C) 2000 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(00)00308-x