ClMeSi(C5H5)2 | 332081-55-7

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: ClMeSi(C5H5)2
• 英文别名: Chloro-di(cyclopenta-2,4-dien-1-yl)-methylsilane
• CAS: 332081-55-7
• 化学式: C₁₁H₁₃ClSi
• 分子量: 208.763
• InChiKey: MCGHFDLUOOZTFB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.79
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  ClMeSi(C5H5)2 、 二甲胺 以 四氢呋喃 为溶剂， 以100%的产率得到Me2N(Me)Si(C5H5)2
  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