Cp(*)[η2-CyNC(Me)NCy]Zr(η2-C2B10H10) | 1191127-39-5

• 英文名称: Cp(*)[η2-CyNC(Me)NCy]Zr(η2-C2B10H10)
• CAS: 1191127-39-5
• 化学式: C₂₆H₅₀B₁₀N₂Zr
• 分子量: 590.03
• InChiKey: IZYGPMROWTWTBX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：

  正丁基锂 、 1,2-dicarba-closo-dodecaborane(12) 、 Cp(*)Zr[CyNC(Me)NCy]Cl2 以 乙醚 、 正己烷 为溶剂， 以51%的产率得到Cp(*)[η2-CyNC(Me)NCy]Zr(η2-C2B10H10)
  参考文献：
  名称：

  Synthesis and Structural Characterization of Zirconium−Carboryne Complexes

  摘要：

  A series of Zr-carboryne (carboryne = 1,2-dehydro-1,2-carborane) complexes were prepared and fully characterized. Both the electronic and steric factors of the ligands have significant effects on the formation of the resultant metal complexes. The reaction of organozirconium dichloride with 1 equiv of Li2C2B10H10 gave a new class of zirconium-carboryne complexes, including (eta(2)-C2B10H10)ZrCl2-(THF)(3) (6). Treatment of 6 with 2 equiv of amidinatolithium, guanidinatolithium, or 'BuOK afforded the complex [eta(2)-CyNC(CH3)NCy](2)Zr(eta(2)-C2B10H10) (4), [eta(2)-(Pr2NC)-Pr-n(NPri)(2)](2)Zr(eta(2)-C2B10H10) (7), or [(eta(2)-C2B10H10)(2)Zr(O'Bu)(THF)][Zr(OBu')(3)(THF)(3)] (8). The unexpected product [sigma:sigma:sigma-{'BuC(O)=CHC('Bu)(O)C2B10H10}]Zr(eta(2)-'BuCOCHCOBu')(THF)(2) (9) was isolated from the reaction of 6 with ('BuCOCHCO'Bu)Na. All complexes were fully characterized by H-1, C-13, and B-11 NMR techniques as well as elemental analyses, Their structures were further confirmed by single-crystal X-ray analyses.

  DOI：

  10.1021/om900504g