Zr(CH2Ph)2[(Me2Si)2(η(5)-C5H2-4-CHMe2)(η(5)-C5H-3,5-(CHMe2)2)] | 215818-31-8

• 英文名称: Zr(CH2Ph)2[(Me2Si)2(η(5)-C5H2-4-CHMe2)(η(5)-C5H-3,5-(CHMe2)2)]
• CAS: 215818-31-8
• 化学式: C₃₇H₅₀Si₂Zr
• 分子量: 642.199
• InChiKey: MWJGSNQSHPQEDH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  benzyl potassium 、 ZrCl2[(Me2Si)2(η(5)-C5H2-4-CHMe2)(η(5)-C5H-3,5-(CHMe2)2)] 以 乙醚 为溶剂， 以63%的产率得到Zr(CH2Ph)2[(Me2Si)2(η(5)-C5H2-4-CHMe2)(η(5)-C5H-3,5-(CHMe2)2)]
  参考文献：
  名称：

  Preparation of doubly-silylene-bridged zirconocene alkyl complexes, Me2Si)2{η5-C5H2-4-CHMe2}{η5-C5H-3,5-(CHMe2)2}ZrR2 (RCH3, CH2Ph) and investigations of their activity in 1-pentene polymerization. Molecular structure of (Me2Si)2{η5-C5H2-4-CHMe2}{η5-C5H-3,5- (CHMe2)2}Zr(CH2Ph)2

  摘要：

  The syntheses of the doubly-[SiMe2]-bridged zirconocene complexes, (Me2Si)(2){eta(5)-C5H2-4-CHMe2}{eta(5)-C5H-3,5-(CHMe2)(2)}ZrR2 (R = Cl (2), R = CH2Ph (3); R = CH3 (4)) are described. The structure of (Me2Si)(2){eta(5)-C5H2-4-CHMe2}{eta(5)C(5)H-3,5-(CHMe2)(2)}-Zr(CH2Ph)(2) (3) has been examined by single crystal X-ray diffraction methods. It crystallizes in the triclinic space group P-l, with a=9.900(2), b=11.818(2), c=15.320(3) Angstrom, alpha=105.02(3), beta=92.56(3), gamma=105.23(3)degrees and Z=2. Compounds 3 and 4 are active stereospecific pre-catalysts for the [Ph3C] [B(C6F5)(4)] co-catalyzedpolymrrization of I-pentene. Polymerization reactions at low temperature in liquid monomer produced poly(l-pentene) with syndiotactic microstructure and narrow molecular weight distribution. By contrast, in 1-pentene/toluene solutions a broad molecular weight distribution is observed. Under all conditions examined 2/MAO systems produced high molecular weight, highly syndiotactic poly-1-pentene with narrow molecular weight distributions. (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(98)00061-9