| 471891-89-1

• CAS: 471891-89-1
• 化学式: C₃₆H₂₄F₂₄N₄O₄Zr₂
• 分子量: 1215.02
• InChiKey: APFNOLUYZCKALW-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：

  methanidylbenzene;(2,3,4,5,6-pentafluorophenyl)-[2-[2-[2-(2,3,4,5,6-pentafluorophenyl)azanidylethoxy]ethoxy]ethyl]azanide;zirconium(4+) 以 氘代苯 为溶剂， 生成 、
  参考文献：
  名称：

  Photolytic Zirconium Benzyl Bond Cleavage and Subsequent Aryl C−F Activation in Zirconium Complexes of Fluorinated Aryl Diamides

  摘要：

  Photolysis of Zr(C6F5NCH2CH2OCH2)(2)(CH2Ph)(2) at 435 nm results in formation of the metalated dimer {Zr[C6F4NCH2CH2OCH2CH2OCH2CH2NC6F5][CH2Ph]}(2).(C7H8)(2) (1), the bridging difluoride dimer {Zr[C6F5NCH2CH2OCH2CH2OCH2CH2NC6F5][F]}(2)[mu-F](2) (2), and bibenzyl. Complex 1 was characterized by NMR spectroscopy (H-1, F-19, C-13) and X-ray crystallography. In the solid state 1 adopts a pentagonal bipyramidal geometry at each zirconium center with a eta(1)-benzyl group occupying one of the axial positions. The bridging difluoride 2 was characterized by H-1 and F-19 NMR spectroscopy. For comparison purposes, Zr(C6F5NCH2CH2OCH2)(2)Me-2 (3) was synthesized and characterized by NMR spectroscopy and X-ray crystallography. Photolysis of 3 at 435 nm does not result in any reaction.

  DOI：

  10.1021/om0204181