(cyclopentadienyl)2Hf(η2-bis(trimethylsilyl)acetylene)(pyridine) | 1151392-42-5

• 英文名称: (cyclopentadienyl)2Hf(η2-bis(trimethylsilyl)acetylene)(pyridine)
• 英文别名: Cp2Hf(η2-Me3SiCCSiMe3)(Py)
• CAS: 1151392-42-5
• 化学式: C₂₃H₃₃HfNSi₂
• 分子量: 558.183
• InChiKey: ZULLDWQKGVSQJU-UHFFFAOYSA-N

物化性质

• 熔点：
  121-123 °C

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 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

• 作为产物：
  描述：

  吡啶 、 {(η5-C5H5)2Hf(n-Bu)2} 、 二(三甲基甲硅烷基)乙炔 以 甲苯 为溶剂， 以44%的产率得到(cyclopentadienyl)2Hf(η2-bis(trimethylsilyl)acetylene)(pyridine)
  参考文献：
  名称：

  Synthesis and Isolation of Di-n-butylhafnocene and Its Application as a Versatile Starting Material for the Synthesis of New Hafnacycles

  摘要：

  The previously described hafnocene alkyne complexes are of limited applicability for the generation of the hafnocene fragment in stoichiometric and catalytic reactions. For this reason di-n-butylhafnocene (1-Hf) was fully characterized and used as a hafnocene source in reactions with alkynes and diynes. With bis(trimethylsilyl)acetylene and pyridine the alkyne complex Cp2Hf(py)(eta(2)-Me3SiC2SiMe3) (2-Hf) was obtained and coordination of di-tert-butylbutadiyne yielded the first structurally characterized hafnacyclocumulene, Cp2Hf(eta(4)-t-BuC4-t-Bu) (4-Hf). By the Coupling of 2 equiv of the 1,3-butadiyne RC4R at the hafnocene center, hafnacyclopentadienes were formed regioselectively (R = t-Bu, 5-t-Bu-Hf; R = SiMe3, 5-SiMe3-Hf). In the case of 1,4-diphenylbutadiyne the hafnocene-substituted [4]radialene 6-Hf was formed. Treatment of the latter with acid gave the free [4]radialene 7. In the reaction of 4-Hf with diphenylacetylene, the alkyne inserted into the Hf-C-alpha bond to give the hafnacyclopentadiene 8.

  DOI：

  10.1021/om900122w