[(η5-C5H5)2Yb(η2-SC(NHN=CPh2)NPh)(hexamethylphosphoric triamide)] | 1163137-02-7

• 英文名称: [(η5-C5H5)2Yb(η2-SC(NHN=CPh2)NPh)(hexamethylphosphoric triamide)]
• CAS: 1163137-02-7
• 化学式: C₃₆H₄₄N₆OPSYb
• 分子量: 812.865
• InChiKey: OCGQUZFJYUCCPF-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  六甲基磷酰三胺 、 [(η5-C5H5)2Yb(μ-NHN=CPh2)]2 、 硫代异氰酸苯酯 以 四氢呋喃 为溶剂， 以67%的产率得到[(η5-C5H5)2Yb(η2-SC(NHN=CPh2)NPh)(hexamethylphosphoric triamide)]
  参考文献：
  名称：

  Investigations on Organolanthanide Derivatives with the Hydrazonido (⁻NHN═CPh₂) Ligand: Synthesis, Crystal Structure, and Reactivity

  摘要：

  Two organolanthanide complexes with the benzophenone hydrazonido(1-) ligand, [Cp2Yb(mu-NHN=CPh2)](2) (1) and Cp2Er[eta(2)-NHN=CPh2(THF) (2), were synthesized by abstraction of cyclopentadienyl from Cp(3)Ln with 1 equiv of benzophenone hydrazone in THF. Reaction of 1 and 2 with phenyl isocyanate gives Ln-N bond insertion with the 1,3-H migration products CP(2)Ln(eta(2)-OC (NHPh)NN=CPh2)(HMPA)(Ln = Yb(3), Er(4)). However, 1 and 2 react with PhNCS to give Ln-N bond insertion without the 1,3-H migration products Cp(2)Ln[eta(2)-SC(NHN=CPh2NPh)(HMPA)(Ln = Yb (5), Er (6)) under the same conditions. PhCN inserts into the Er-N bond of 2 with 1,3-hydrogen migration to form the organolanthanide heterometallacycles CP2Er[eta(2)-NHC(Ph)NN=CPh2] (7). However, (BuNC)-Bu-t does not insert into the Er-N bond of 2 under the same conditions, and treatment of 2 with (BuNC)-Bu-t leads to the isolation of the solvent-free dimer [Cp2Er[mu-eta(1):eta(2)-NHN=CPh2)](2) (2'). All new compounds have been characterized through X-ray single-crystal diffraction analysis.

  DOI：

  10.1021/om900246b