[iridium(III)(Cp*)(carbonyl)(perfluoroethyl)(chloride)] | 1262658-89-8

• 英文名称: [iridium(III)(Cp*)(carbonyl)(perfluoroethyl)(chloride)]
• CAS: 1262658-89-8
• 化学式: C₁₃H₁₅ClF₅IrO
• 分子量: 509.927
• InChiKey: NPVXZTIXGQMHFN-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

• 作为反应物：
  描述：

  [iridium(III)(Cp*)(carbonyl)(perfluoroethyl)(chloride)] 在 N-methylmorpholine-N-oxide (NMO) 作用下， 以 二氯甲烷 为溶剂， 以93%的产率得到
  参考文献：
  名称：

  Synthesis and crystallographic characterization of dimeric perfluoroalkyl iridium complexes: [Cp∗Ir(X)(RF)]2 (X = I, RF= CF3, CF2CF3, CF2CF2CF3, CF(CF3)2, CF(CF3)(CF2CF3); X = Cl and Br, RF= CF2CF3), and a new perfluoroethylidene complex Cp∗Ir(PPh3)(CFCF3)

  摘要：

  Monomeric perfluoroalkyl-iridium complexes IrCp*(R-F)(CO)I react with N-methylmorpholine-N-oxide (NMO) with loss of the CO ligand, and clean formation of stable red iodide-bridged dimers, all of which have characterized in solution by H-1 and F-19 NMR spectroscopy and in the solid state by X-ray diffraction. Dimeric perfluoroethyl analogues with chloro and bromo ligands have also been prepared. Reaction of these iodo-bridged dimers with acetonitrile, ethylene and amines forms the corresponding monomeric complexes in solution but coordination is weak and reversible. CO reacts irreversibly to afford the monomeric starting materials, while PMe3 and PPh3 yield monomeric phosphine complexes, which can be reduced to give perfluoroethylidene compounds. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2010.06.006
• 作为产物：
  描述：

  [Ir(η5-C5Me5)(CO)(CF2CF3)I] 、 silver trifluoromethanesulfonate 、 lithium chloride 以 二氯甲烷 为溶剂， 以95%的产率得到[iridium(III)(Cp*)(carbonyl)(perfluoroethyl)(chloride)]
  参考文献：
  名称：

  Synthesis and crystallographic characterization of dimeric perfluoroalkyl iridium complexes: [Cp∗Ir(X)(RF)]2 (X = I, RF= CF3, CF2CF3, CF2CF2CF3, CF(CF3)2, CF(CF3)(CF2CF3); X = Cl and Br, RF= CF2CF3), and a new perfluoroethylidene complex Cp∗Ir(PPh3)(CFCF3)

  摘要：

  Monomeric perfluoroalkyl-iridium complexes IrCp*(R-F)(CO)I react with N-methylmorpholine-N-oxide (NMO) with loss of the CO ligand, and clean formation of stable red iodide-bridged dimers, all of which have characterized in solution by H-1 and F-19 NMR spectroscopy and in the solid state by X-ray diffraction. Dimeric perfluoroethyl analogues with chloro and bromo ligands have also been prepared. Reaction of these iodo-bridged dimers with acetonitrile, ethylene and amines forms the corresponding monomeric complexes in solution but coordination is weak and reversible. CO reacts irreversibly to afford the monomeric starting materials, while PMe3 and PPh3 yield monomeric phosphine complexes, which can be reduced to give perfluoroethylidene compounds. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2010.06.006