(η(5)-C9H6SiMe2C9H7)Hf(NMe2)3 | 191427-59-5

• 英文名称: (η(5)-C9H6SiMe2C9H7)Hf(NMe2)3
• CAS: 191427-59-5；191343-80-3
• 化学式: C₂₆H₃₇HfN₃Si
• 分子量: 598.175
• InChiKey: VVOKLUGVISLEAP-MXFMKSRJSA-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：

  Hf(NMe₂)₄ 、 二-1H-茚-1-基-二甲基硅烷 以 氘代苯 为溶剂， 生成 (η(5)-C9H6SiMe2C9H7)Hf(NMe2)3 、 (η(5)-C9H6SiMe2C9H7)Hf(NMe2)3 、 (μ-η(5):η(5)-Me2Si(C9H6)2)(Hf(NMe2)3)2 、 (μ-η(5):η(5)-Me2Si(C9H6)2)(Hf(NMe2)3)2
  参考文献：
  名称：

  Synthesis and Structures of rac-Me₂Si(η⁵-1-indenyl)₂Hf(NMe₂)₂ and {Me₂Si(η⁵-1-indenyl)(η³-2-indenyl)}Hf(NMe₂)₂

  摘要：

  The amine elimination reaction of Me2Si(1-indenyl)(2) (1, (SBI)H-2) and Hf(NMe2)(4) (2) affords rac-Me2Si(eta(5)-1-indenyl)(2)Hf(NMe2)(2) (rac-3, rac-(SBI)Hf(NMe2)(2)) in 20% isolated yield. This reaction proceeds by initial formation of a mono(indenyl) intermediate, (eta(5)-C9H6SiMe2C9H7)Hf(NMe2)(3) (4), which reacts reversibly with a second equivalent of 2 to form a binuclear complex, {mu-eta(5):eta(5)-Me2Si(1-indenyl)(2)}(Hf(NMe2)(3)}(2) (5), and undergoes reversible intramolecular amine elimination to form rac-3 and meso-3. The novel C-1-symmetric ansa-metallocene {Me2Si(eta(5)-1-indenyl)(eta(3)-2-indenyl))Hf(NMe2)(2) (6), in which one of the indenyl groups is bridged through the 2-position, is observed as a side product in the synthesis of 3. Complex 6 has been prepared in 21% isolated yield by thermolysis of 4 (or mixtures of 1 and 2) at 160 degrees C and can be converted to {Me2Si(eta(5)-1-indenyl)(eta(3)-2-indenyl)}HfMe2 (7, 100% NMR) by reaction with AlMe3. The molecular structures of rac-3 and 6 have been determined by X-ray crystallography.

  DOI：

  10.1021/om970242g