dimethylsilylene(cyclopentadienyl)(3-p-tolylindenyl)zirconium dichloride | 192213-85-7

• 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: dimethylsilylene(cyclopentadienyl)(3-p-tolylindenyl)zirconium dichloride
• 英文别名: cyclopenta-2,4-dien-1-yl-dimethyl-[3-(4-methylphenyl)inden-1-id-1-yl]silane;dichlorozirconium(2+)
• CAS: 192213-85-7
• 化学式: C₂₃H₂₂Cl₂SiZr
• 分子量: 488.643
• InChiKey: OFGADDOKEKVVKJ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  6.45
• 重原子数：
  27
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  (cyclopentadienyl)(3-p-tolylindenyl)dimethylsilane 、 氯化锆(IV) 在 n-BuLi 作用下， 以 乙醚 、 正己烷 为溶剂， 以51%的产率得到dimethylsilylene(cyclopentadienyl)(3-p-tolylindenyl)zirconium dichloride
  参考文献：
  名称：

  Synthesis, structure, and catalytic properties of ansa-Zirconocenes, Me2X(Cp)(RInd) ZrCl2 (X = C, Si; R = 2-p- or 3-p-tolyl)

  摘要：

  ansa-Zirconocenes Me2X(Cp)(3-TolInd)ZrCl2 [X = C(7), Si(8); Cp = eta(5)-C5H5; Tol = p-C6H4CH3] and Me2Si(Cp)(2-ToIInd)ZrCl2 (9), have been prepared by the reactions of ZrCl4 with the corresponding dilithiated ligands in diethyl ether at -78 degrees C. The molecular structure of complex 9 has been determined by a single crystal X-ray diffraction study. Propylene polymerization has been studied for complexes 7, 8 and 9 in the presence of methylaluminoxane (MAO). Complex 9 reveals the highest catalytic activity of 1570 kg PP/(mol Zr h atm) and the highest molecular weight of 1.2 X 10(6) among the three catalysts. Complex 9 produces atactic polypropylene (PP), whereas 7 and 8 afford PP with a weak syndiotacticity at low temperature.

  DOI：

  10.1016/s0022-328x(96)06874-x