| 394210-82-3

• CAS: 394210-82-3
• 化学式: C₁₂H₁₄ClDy
• 分子量: 356.196
• InChiKey: KGLJJDVEMMQVCC-UHFFFAOYSA-M

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

• 作为反应物：
  描述：

  正丁基锂 、 、 异氰酸苯酯 以 四氢呋喃 、 环己烷 为溶剂， 以54%的产率得到[(C₅H₄CH₃)2DyOC(Bun)NPh]2
  参考文献：
  名称：

  Insertion Reaction of Phenyl Isocyanate into the Ln−C σ-Bond of Organolanthanide Complexes:  Synthesis, Characterization, and Crystal Structures of {(C₅H₄CH₃)₂Ln[μ-η¹:η³-OC(R)NPh]}₂ (Ln = Sm, Dy, Er, Ho; R = n-butyl, α-naphthyl)

  摘要：

  Cp'2LnR(THF) (Cp' = C5H4CH3) reacted with phenyl isocyanate to form the PhNCO insertion products [CP'(2)Ln(OC(R)NPh)](2) [R = n-butyl, Ln = Sm (1), Dy (2), Er (3); R = alpha -naphthyl, Ln = Dy (4)]. It was found that an excess of PhNCO did not affect the nature of the final complexes, a single insertion only being observed and excess PhNCO forming a cyclotrimer (5). The reaction of Cp'HoCl2(THF)(3) with (BuLi)-Li-n and subsequently with 2 equiv of PhNCO in THF gave Ho[OC(Bu-n)NPh)](3) (6) and [CP'Ho-2(OC(Bu-n)NPh](2) (7), which can be rationalized by the rearrangement reaction of the di-insertion product Cp'Ho[OC(Bu-n)NPh](2)(THF)(x). The structures of 1, 4(.)THF, 5(.)THF and 7 were determined by X-ray diffraction, revealing an unusual bonding mode of the amido groups arising from the insertion of PhNCO into the Ln-C sigma -bonds and that the O-C-N fragment of the OC(R)NPh ligand acts as both a bridging and side-on chelating group.

  DOI：

  10.1021/om010346y