Na(decafluorodiphenylamide)(diethyl ether) | 1445605-49-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Na(decafluorodiphenylamide)(diethyl ether)
• CAS: 1445605-49-1
• 化学式: C₄H₁₀O*C₁₂F₁₀N*Na
• 分子量: 445.235
• InChiKey: IXDJQKUJWUGBQH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.46
• 重原子数：
  29.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  23.33
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  tris(bis(trimethylsilylamido))cerium(III) 、 乙醚 、 Na(decafluorodiphenylamide)(diethyl ether) 反应 3.0h， 以55%的产率得到[Na(diethyl ether)₄][Ce^III(decafluorodiphenylamide)₄]
  参考文献：
  名称：

  Electrophilic Ln(III) Cations Protected by C–F → Ln Interactions and Their Coordination Chemistry with Weak σ- and π-Donors

  摘要：

  A homoleptic cerium(III) amide complex, Ce(NPh2F)(3) (1-Ce) (Ph-F = pentafluorophenyl), in an unusual pseudo-trigonal planar geometry featuring six C-F -> Ce interactions was prepared. The C-F -> Ln interactions in solution were evident by comparison of the F-19 NMR shifts for the paramagnetic 1-Ce with those of the 4f(0) lanthanum(III) analogue. Coordination of weak sigma- and pi-donors, including ethers and neutral arene molecules, was achieved by the reversible displacement of the weak C-F -> Ce interactions. Computational studies on Ce(NPh2F)(3) and Ce(NPh2F)(3)(eta(6)-C6H3Me3) provide information on the F -> Ce interactions and Ce-eta(6)-arene bonding.

  DOI：

  10.1021/ic401130e
• 作为产物：
  描述：

  乙醚 、 1,1'-亚氨基二(2,3,4,5,6-五氟苯) 在 sodium hydride 作用下， 反应 3.0h， 以72%的产率得到Na(decafluorodiphenylamide)(diethyl ether)
  参考文献：
  名称：

  Electrophilic Ln(III) Cations Protected by C–F → Ln Interactions and Their Coordination Chemistry with Weak σ- and π-Donors

  摘要：

  A homoleptic cerium(III) amide complex, Ce(NPh2F)(3) (1-Ce) (Ph-F = pentafluorophenyl), in an unusual pseudo-trigonal planar geometry featuring six C-F -> Ce interactions was prepared. The C-F -> Ln interactions in solution were evident by comparison of the F-19 NMR shifts for the paramagnetic 1-Ce with those of the 4f(0) lanthanum(III) analogue. Coordination of weak sigma- and pi-donors, including ethers and neutral arene molecules, was achieved by the reversible displacement of the weak C-F -> Ce interactions. Computational studies on Ce(NPh2F)(3) and Ce(NPh2F)(3)(eta(6)-C6H3Me3) provide information on the F -> Ce interactions and Ce-eta(6)-arene bonding.

  DOI：

  10.1021/ic401130e