(Me2Si(η(5)-1-indenyl)(η(3)-2-indenyl))Hf(NMe2)2 | 191343-72-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: (Me2Si(η(5)-1-indenyl)(η(3)-2-indenyl))Hf(NMe2)2
• 英文别名: dimethylazanide;hafnium(4+);inden-1-id-1-yl-inden-2-id-2-yl-dimethylsilane
• CAS: 191343-72-3
• 化学式: C₂₄H₃₀HfN₂Si
• 分子量: 553.091
• InChiKey: DQVCTTLHJWPPOZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
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• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  (Me2Si(η(5)-1-indenyl)(η(3)-2-indenyl))Hf(NMe2)2 、 三甲基铝 以 氘代苯 为溶剂， 生成 (Me2Si(1-indenyl)(2-indenyl))HfMe2
  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
• 作为产物：
  描述：

  Hf(NMe₂)₄ 、 二-1H-茚-1-基-二甲基硅烷 以 neat (no solvent) 为溶剂， 以21%的产率得到(Me2Si(η(5)-1-indenyl)(η(3)-2-indenyl))Hf(NMe2)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