| 1337909-23-5

• CAS: 1337909-23-5
• 化学式: C₃₃H₃₃ErNOPS
• 分子量: 689.931
• InChiKey: UVRNCAGPMISTKY-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

• 作为产物：
  描述：

  、 硫代异氰酸苯酯 以 四氢呋喃 为溶剂， 以69%的产率得到
  参考文献：
  名称：

  Insertion of Isocyanate and Isothiocyanate into the Ln–P σ-Bond of Organolanthanide Phosphides

  摘要：

  The synthesis, structure, and reactivity of organoytrium phosphides toward phenyl isocyanate (PhNCO) and phenl isothiocyanate (PhNCS) are described. Reaction of (Tp(Me2))CpYCH2Ph(THF) (Tp(Me2) = tris(3,5-dimethylpyrazolyl) borate; Cp = C5H5) with 1 equiv of HPPh2 in THF at ambient temperature gives an organoyttrium phosphide (Tp(Me2))CpYPPh2-(THF) (1). Treatment of 1 with I equiv of PhNCO in THF at ambient temperature results in monoinsertion of PhNCO into the Y-P sigma-bond to yield complex (Tp(Me2))CpY[OC(PPh2)NPh]-(THF) (2), whereas reaction of 1 with 2 equiv of PhNCO affords the PhNCO diinsertion product (Tp(Me2))CpY[OC(PPh2)-N(Ph)C(O)NPh] (4). However, reaction of 1 with PhNCS under the same conditions is independent of the stoichiometric ratio and gives only the monoinsertion product (Tp(Me2))CpY[SC(PPh2)NPh] (3). Moreover, 1 can effectively catalyze the cyclotrimerization of PhNCO under mild conditions, but does not catalyze the cyclotrimerization of PhNCS. In addition, the reaction of Cp(2)LnPPh(2)(THF) with PhNCS affords the insertion products Cp(2)Ln[SC(PPh2)NPh](THF) (Ln = Y (6), Er (7), Dy (8)). All new complexes were characterized by elemental analysis, IR, and/or H-1, C-13 and P-31 NMR, and their solid-state structures, except 4, were determined through single-crystal X-ray diffraction analysis. These reactions represent the first example of isocyanate and isothiocyanate insertions into the Ln-P sigma-bond and provide an efficient method for the construction of phosphaureido, phosphadiureido, and phosphathioureido ligands.

  DOI：

  10.1021/om2006722