| 220499-43-4

• CAS: 220499-43-4
• 化学式: C₆H₁₆N*C₁₀H₁₅F₅Ta
• 分子量: 513.369
• InChiKey: OHUSTMYLCWKIQY-UHFFFAOYSA-J

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：

  Cp*₂TaH₃ 、 triethylamine tris(hydrogen fluoride) 以 甲苯 为溶剂， 以86%的产率得到
  参考文献：
  名称：

  Fluoro Complexes of Permethyltantalocene, Cp*₂TaF₃ and [Cp*₂TaF₂][BF₄]:  Facile Formation of a Tetrafluoroborate Complex via Corrosion of Borosilicate Glass

  摘要：

  The trihydride complex Cp*2TaH3 is a convenient precursor to a series of halide derivatives, which include unusual examples of organometallic fluoride complexes. Most interestingly, reaction of Cp*2TaH3 with (C5H5N)(HF)(x) affords the trifluoride complex Cp*2TaF3 when carried out in a plastic vessel, but the tetrafluoroborate complex [Cp*2TaF2][BF4] when performed ina borosilicate glass vessel. In contrast, reaction of Cp*2TaH3 with [Et3N(HF)(3)] results in cleavage of one of the pentamethylcyclopentadienyl ligands to yield the half-sandwich complex [Et3NH][Cp*TaF5]. Cp*2TaF3 and [Cp*2TaF2][BF4] may be readily interconverted. Thus, treatment of Cp*2TaF3 with either Et2O . BF3 or LiBF4 yields [Cp*2TaF2][BF4], while reaction of the latter complex with excess NaF regenerates Cp*2TaF3. Furthermore, Cp*2TaF3 is converted to the cyano fluoride complex Cp*Ta-2(CN)(2)F upon reaction with excess Me3SiCN. Sequential replacement of the hydride ligands of Cp*2TaH3 is observed in the reaction with Mel to give Cp*2TaH2I and Cp-2*TaHI2; likewise, the reactions of Cp*2TaH3 with either HCl, CHCl3, pr CCl4 give Cp*2TaH2Cl and Cp*2TaHCl2. The molecular structures of [Cp*2TaF2][BF4], [Et3NH][Cp*TaF5], and Cp*2TaHCl2 have been determined by X-ray diffraction.

  DOI：

  10.1021/om980549v