N-[[dimethyl-(pyrimidin-2-ylamino)silyl]oxy-dimethylsilyl]pyrimidin-2-amine | 182245-20-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: N-[[dimethyl-(pyrimidin-2-ylamino)silyl]oxy-dimethylsilyl]pyrimidin-2-amine
• CAS: 182245-20-1
• 化学式: C₁₂H₂₀N₆OSi₂
• 分子量: 320.501
• InChiKey: MVUWVOCZNKQFJG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.21
• 重原子数：
  21.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  84.85
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  (Me2N)3TiCl 、 N-[[dimethyl-(pyrimidin-2-ylamino)silyl]oxy-dimethylsilyl]pyrimidin-2-amine 以 正己烷 为溶剂， 以40%的产率得到chlorotitanium(3+);dimethylazanide;[[dimethyl(pyrimidin-2-ylazanidyl)silyl]oxy-dimethylsilyl]-pyrimidin-2-ylazanide;N-methylmethanamine
  参考文献：
  名称：

  Synthesis and Structure of Mononuclear Titanium Complexes Containing ansa ‐Aminopyridinato Ligands

  摘要：

  AbstractA series of siloxane‐bridged bis(2‐aminopyridines) were synthesized from dichlorosiloxanes and 2‐aminopyridines in the presence of a base via nucleophilic substitution reactions. They were used, after deprotonation, as dianionic (ansa‐aminopyridinato) ligands to stabilize mononuclear titanium complexes with unusual coordination geometries. An X‐ray crystal structure analysis of one of the ligands and of a titanium complex proved mononuclearity and provided information about the binding mode of this novel type of ligands. Ethylene polymerization studies showed low activity, remarkable differences between structurally related complexes, and broad molecular weight distributions. Sterically less demanding substituents and a high basicity of the ligand increase polymerization activity.

  DOI：

  10.1002/cber.19961290917
• 作为产物：
  描述：

  1,3,5-三嗪-2,4,6-三胺,N,N'''-1,2-乙二基二[N-[3-[[4,6-二[丁基(2,2,6,6-四甲基-4-哌啶基)氨基]-1,3,5-三嗪-2-基]氨基]丙基]-N,N''-二丁基-N,N''-二(2,2,6,6-四甲基-4-哌啶基)- 、 1,3-二氯-1,1,3,3,-四甲基二硅氧烷 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 以67%的产率得到N-[[dimethyl-(pyrimidin-2-ylamino)silyl]oxy-dimethylsilyl]pyrimidin-2-amine
  参考文献：
  名称：

  Synthesis and Structure of Mononuclear Titanium Complexes Containing ansa ‐Aminopyridinato Ligands

  摘要：

  AbstractA series of siloxane‐bridged bis(2‐aminopyridines) were synthesized from dichlorosiloxanes and 2‐aminopyridines in the presence of a base via nucleophilic substitution reactions. They were used, after deprotonation, as dianionic (ansa‐aminopyridinato) ligands to stabilize mononuclear titanium complexes with unusual coordination geometries. An X‐ray crystal structure analysis of one of the ligands and of a titanium complex proved mononuclearity and provided information about the binding mode of this novel type of ligands. Ethylene polymerization studies showed low activity, remarkable differences between structurally related complexes, and broad molecular weight distributions. Sterically less demanding substituents and a high basicity of the ligand increase polymerization activity.

  DOI：

  10.1002/cber.19961290917