Tris(3-phenylpyrazol-1-yl)boranuide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: Tris(3-phenylpyrazol-1-yl)boranuide
• 化学式: C₂₇H₂₂BN₆
• 分子量: 441.323
• InChiKey: QMNHCMFARXWVEA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.94
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  53.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Tris(3-phenylpyrazol-1-yl)boranuide 以 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Effects of the Substituents in the Tp^xCu Activation of Dioxygen:  An Experimental Study

  摘要：

  A series of Tp(x)Cu(I) complexes (Tp(x) = homoscorpionate ligand) have been reacted in solution with dioxygen at room temperature. Two different behaviors have been observed: the already described reaction with O-2 or the lack of any transformation. The trend has been correlated with the electronic density at the metal center, and that has been evaluated by means of cyclic voltammometry studies as well as by IR studies with the Tp(x)Cu(CO) complexes. The data collected indicate that the former could serve as a better tool to predict such transformation, establishing a limit above which the complexes are stable under oxygen in solution. Catalytic tests carried out under oxygen have demonstrated that the use of an inert atmosphere is not a requirement in some cases.

  DOI：

  10.1021/ic7007073