[CyNC(closo-1,2-C2B10H10)(NHCy)]2Ni | 1361389-84-5

• 英文名称: [CyNC(closo-1,2-C2B10H10)(NHCy)]2Ni
• CAS: 1361389-84-5
• 化学式: C₃₀H₆₆B₂₀N₄Ni
• 分子量: 757.791
• InChiKey: LARXUJUKTBIKSU-UHFFFAOYSA-N

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：

  [NiCl2(triphenylphosphine)Ph] 、 CyNC(closo-1,2-C2B10H11)(NHCy) 在 n-butyllithium 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 生成 [CyNC(closo-1,2-C2B10H10)(NHCy)]2Ni
  参考文献：
  名称：

  Synthesis, Reactivity, and Structural Transformation of Mono- and Binuclear Carboranylamidinate-Based 3d Metal Complexes and Metallacarborane Derivatives

  摘要：

  A series of carboranylamidinate-based 3d metal complexes are reported. Treatments of 3d metal dichlorides (CoCl2, NiCl2(DME), CuCl2) with the lithium salts of carboranylamidines (Cab(N)H) generate the mononuclear C,N-coordinated complexes [(RN=C(closo-1,2-C2B10H10)-(NHR)](2)M (1-6; M = Co, Ni, Cu; R = iPr, Cy) in moderate yields, respectively. These complexes have similar structures in the solid state, in which the metal atom is coordinated to two nitrogen atoms and bonded to two cage carbon atoms in a distorted-tetrahedral geometry. As a noninnocent ligand, Cab(N)H can be modified to produce carboranylamidinate thiol (Cab(N)SH) and nido derivatives Dcab(N)H (9, 10), respectively. Reaction of cupric acetate with 1 equiv of CabNSH gave the binuclear complexes {[RN=C(closo-1,2-C2B10H10)(NHR)]SCu}(2) (R = iPr (7), Cy (8)) in 66 and 63% yields, respectively. The structure of 7 shows the formation of a Cu-Cu bond, and the geometry of the Cu2S2 core is planar. The zwitterionic nickel dicarbollide complexes (Dcab(N))Ni(PPh3)Cl (11, 12) were prepared by reactions of the lithium salts of Dcab(N)H (9, 10) with NiCl2(PPh3)(2) in THF. All complexes were characterized by elemental analysis and IR and NMR spectroscopy. The structures of 1, 3-5, 7, and 9-11 were further confirmed by single-crystal X-ray diffraction.

  DOI：

  10.1021/om2011358