Et2N(Me)Si(η5-C5H4)(η5-C5Me4)ZrCl2 | 1203560-84-2

• 英文名称: Et2N(Me)Si(η5-C5H4)(η5-C5Me4)ZrCl2
• CAS: 1203560-84-2
• 化学式: C₁₇H₂₅Cl₂NSiZr
• 分子量: 433.608
• InChiKey: KOXHCLMTHJXNOE-VLEZWVESSA-L

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：

  三甲基氯硅烷 、 ZrCl2(NMe2)2(THF)2 、 以 乙醚 为溶剂， 以54%的产率得到Et2N(Me)Si(η5-C5H4)(η5-C5Me4)ZrCl2
  参考文献：
  名称：

  Aminosilylene-bridged ansa-zirconocenes for branched polyethylenes with bimodal molecular weight distributions

  摘要：

  Reactions of the dilithium salt of aminosilylene-bridged ligands with (Me2N)(2)ZrCl2(THF)(2) followed by the treatment of Me3SiCl are found to be an efficient synthetic route to aminosilylene-bridged ansa-zirconocenes, R2N(Me)Si(eta(5)-C5H4)(2)ZrCl2 (R = Me (1), Et (2)) and Me2N(Me)Si(eta(5)-C5H4)(eta(5)-C5Me4)ZrCl2 (3). Crystal structure of 3 determined by X-ray diffraction study reveals the presence of pi-bonding interaction between N and Si atoms, which is further supported by DFT calculation results. These complexes are very active (>1 x 10(3) Kg/(mol Cat.atm.h)) for homopolymerization of ethylene in the presence of methylalumoxane (MAO) cocatalyst, generating polyethylenes that contain branches as well as bimodal molecular weight distribution (MWD). Methyl, ethyl, butyl, and other longer branches (n >= 6) are observed in the resulting polyethylenes. The polyethylenes from 1, 2 and 3/MAO show a broad MWD range (6.3-42.2, 3.5-4.0 and 2.6-3.4, respectively). (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2009.09.003