(2,2-diphenylazavinylidene)(tetrafluorobenzobarrelene)(tricyclohexylphosphine)iridium | 157534-62-8

• 英文名称: (2,2-diphenylazavinylidene)(tetrafluorobenzobarrelene)(tricyclohexylphosphine)iridium
• CAS: 157534-62-8
• 化学式: C₄₃H₄₉F₄IrNP
• 分子量: 879.056
• InChiKey: DWKDSKCTECOGFD-RWCWHBAYSA-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：

  二苯甲酮亚胺 、 methoxy(tetrafluorobenzobarrelene)(tricyclohexylphosphine)iridium 以 正己烷 为溶剂， 以60%的产率得到(2,2-diphenylazavinylidene)(tetrafluorobenzobarrelene)(tricyclohexylphosphine)iridium
  参考文献：
  名称：

  Azavinylidene and Azavinylidene-Bridged Compounds of Iridium and Rhodium

  摘要：

  The synthesis of the azavinylidene and azavinylidene-bridged compounds Ir(=N=CPh2)(diolefin)(PCy3) (5, diolefin = tetrafluorobenzobarrelene (TFB); 6, diolefin = 1,5-cyclooctadiene (COD)) and [Ir(mu-N=CPh2)(diolefin)]2 (7, diolefin = COD; 8, diolefin = TFB) is described. The azavinylidene derivatives 5 and 6 were prepared by reaction of the corresponding square-planar methoxy complex Ir(OMe)(diolefin)(PCY3) with benzophenone imine, whereas the azavinylidene-bridged 7 and 8 were similarly obtained from [Ir(mu-OMe)(diolefin)]2 (diolefin = COD TFB). The complexes 7 and 8 react with CO to give [Ir(mu-N=CPh2)(CO)2]2 (9), which affords [Ir(mu-N=CPh2)(CO)(PCY3)]2 (10) in the presence of PCy3. The preparation of the related compounds [Rh(mu-N=CPh2)(diolefin)]2 (diolefin = COD (13), TFB (14)), [Rh(mu-N=CPh2)(CO)2]2 (15), Rh2(mu-N=CPh2)2(CO)3PCy3 (16), and [Rh(mu-N=CPh2)(CO)(PCy3)]2 (17) is also reported. The structure of 14 was determined by an X-ray investigation. 14 crystallizes in the space group P1BAR with a = 16.468(5) angstrom, b = 16.569(5) angstrom, c = 18.139(5) angstrom, alpha = 66.03(1)-degrees, beta = 74.32(2)-degrees, gamma = 89.71(2)-degrees, and Z = 4. The molecular structure reveals that the core of the molecule is formed by a Rh2N2 skeleton in a bent configuration.

  DOI：

  10.1021/om00020a050