Zr(6,6-dimethylcyclohexadienyl)2(1-phenyl-2-trimethylsilylacetylene)2 | 1085833-07-3

• 英文名称: Zr(6,6-dimethylcyclohexadienyl)2(1-phenyl-2-trimethylsilylacetylene)2
• 英文别名: Zr(6,6-dmch)2(PhC2SiMe3)2)2；(6,6-dimethylcyclohexadienyl)Ti((Me2C6H5)(PhCCSiMe3)2)
• CAS: 1085833-07-3
• 化学式: C₃₈H₅₀Si₂Zr
• 分子量: 654.21
• InChiKey: XVOSLVGZCNHPQL-LODPTKLDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  bis(trimethylphosphine)bis(6,6-dimethylcyclohexadienyl)zirconium(II) 、 styryltrimethylsilane 以 正己烷 为溶剂， 以49%的产率得到Zr(6,6-dimethylcyclohexadienyl)2(1-phenyl-2-trimethylsilylacetylene)2
  参考文献：
  名称：

  The reaction of the bis(6,6-dimethylcyclohexadienyl)zirconium fragment with PhC2SiMe3 – A 5+2+2 ring construction

  摘要：

  The reaction of the edge-bridged open zirconocene, Zr(6,6-dmch)(2)(PMe3)(2) (dmch = dimethylcyclohexadienyl) with two equivalents of PhC2SiMe3 leads to a 5 + 2 + 2 ring construction, resulting in a 4.3.1 bicyclodecadienyl skeleton. The resulting complex, with eta(3)-allyl, eta(4)-diene, and eta(5)-dienyl coordination, has a formal 16 electron configuration, and contains close contacts between the metal center and two lengthened C-C bonds, indicative of weak agostic interactions. (C) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2008.04.001