[(E)-C-[(4-tert-butylphenyl)-phenylazanidylmethyl]-N-trimethylsilylcarbonimidoyl]-trimethylsilylazanide;cyclopenta-1,3-diene;zirconium(4+) | 323574-85-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [(E)-C-[(4-tert-butylphenyl)-phenylazanidylmethyl]-N-trimethylsilylcarbonimidoyl]-trimethylsilylazanide;cyclopenta-1,3-diene;zirconium(4+)
• CAS: 323574-85-2
• 化学式: C₃₄H₄₇N₃Si₂Zr
• 分子量: 645.162
• InChiKey: LDYKXGWOWTVPGA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  (4-tert-butylphenyl)methyl-phenylazanide;cyclopenta-1,3-diene;oxolane;zirconium(4+) 、 二(三甲基硅基)碳酰二亚胺 以 氘代苯 为溶剂， 以95%的产率得到[(E)-C-[(4-tert-butylphenyl)-phenylazanidylmethyl]-N-trimethylsilylcarbonimidoyl]-trimethylsilylazanide;cyclopenta-1,3-diene;zirconium(4+)
  参考文献：
  名称：

  Mechanism of Insertion of Carbodiimides into the Zr−C Bonds of Zirconaaziridines. Formation of α-Amino Amidines

  摘要：

  Treatment of zirconaaziridines Cp2Zr-eta (2)- [N(R-1)CH(R-2)](THF) with carbodiimides results in the insertion of the carbodiimide into the Zr-C bonds. The insertion of bis(trimethylsilyl)carbodiimide is reversible, which becomes significant at high THF concentrations. Kinetic data indicate that the THF ligand must dissociate prior to carbodiimide insertion. Protic cleavage of the organic fragment from zirconium results in formation of alpha -amino amidines.

  DOI：

  10.1021/om000768s