| 419536-13-3

• CAS: 419536-13-3
• 化学式: C₂₁H₂₂SiZr
• 分子量: 393.715
• InChiKey: SQVUBQFSYCMWPM-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：

  在 sodium amalgam 作用下， 以 氘代苯 为溶剂， 生成
  参考文献：
  名称：

  Formation of Trivalent Zirconocene Complexes fromansa-Zirconocene-Based Olefin-Polymerization Precatalysts: An EPR- and NMR-Spectroscopic Study

  摘要：

  Reduction of Zr(IV) metallocenium cations with sodium amalgam (NaHg) produces EPR signals assignable to Zr(III) metallocene complexes. The chloro-bridged heterodinuclear ansa-zirconocenium cation [(SBI)Zr(mu-Cl)(2)AlMe2](+) (SBI = rac-dimethylsilylbis(1-indenyl)), present in toluene solution as its B(C6F5)(4)(-) salt, thus gives rise to an EPR signal assignable to the complex (SBI)Zr-III(mu-Cl)(2)AlMe2, while (SBI)Zr-III-Me and (SBI)Zr-III(mu-H)(2)(AlBu2)-Bu-i are formed by reduction of [(SBI)Zr(mu-Me)(2)AlMe2](+) B(C6F5)(4)(-) and [(SBI)Zr(mu-H)(3)((AlBu2)-Bu-i)(2)](+) B(C6F5)(4)(-), respectively. These products can also be accessed, along with (SBI)Zr-III-Bu-i and [(SBI)Zr-III](+) AlR4-, when (SBI)ZrMe2 is allowed to react with (HAlBu2)-Bu-i, eliminating isobutane en route to the Zr(III) complex. Further studies concern interconversion reactions between these and other (SBI)Zr(III) complexes and reaction mechanisms involved in their formation.

  DOI：

  10.1021/ja403170u