trans-[Ir(triphenylphosphine)2Cl(η2-Me3SiCCCOMe)] | 898555-66-3

• 英文名称: trans-[Ir(triphenylphosphine)2Cl(η2-Me3SiCCCOMe)]
• CAS: 898555-66-3
• 化学式: C₄₃H₄₂ClIrOP₂Si
• 分子量: 892.512
• InChiKey: KOCJATRQZRVDRG-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：

  trans-[Ir(triphenylphosphine)2Cl(η2-Me3SiCCCOMe)] 以 氘代苯 为溶剂， 生成 trans-[Ir(triphenylphosphine)2Cl(CC(SiMe3)C(O)Me)]
  参考文献：
  名称：

  On the reactivity of [IrCl(N2)(PPh3)2] with alkynylsilanes – A new route to vinylidene iridium(I) complexes

  摘要：

  The iridium dinitrogen complex [IrCl(N-2)(PPh3)(2)] (1) was found to react with alkynylsilanes RC CSiR'(3) to form the vinylidene iridium(I) complexes trans-[IrCl{=C=CR(SiR'(3))}(PPh3)(2)] (R/R'=Ph/Me, 2; Me/Me, 3; Bn/Me, 4; SiMe3/Me, 5; SiEt3/Et, 6; Pr-i/Me, 7) and with Me3SiC CC(O)R to yield the iridium eta(2)-alkyne complexes trans-[IrCI(eta(2)-Me3SiC CC(O)R}(PPh3)(2)] (R = OEt, 9; Me, 11). Complex 9 was found to isomerize upon heating or upon UV irradiation yielding the vinylidene complex trans-[IrCl{=C=C(SiMe3)-CO2Et)(PPh3)(2)] (10). The reaction of 1 with Me3SiC C-C CSiMe3 yielded the complex trans-[IrCl(=C=C(SiMe3)C CSi-Me-3} (PPh3)(2)] (8), whereas with MeO2CC CCO2Me the iridacyclopentadiene complex [Ir{C-4(CO2Me)(4)}Cl(PPh3)(2)] (13) was formed. The complexes were characterized by means of H-1, C-13 and P-31 NMR spectroscopy as well as by IR spectroscopy and microanalysis. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2006.02.025
• 作为产物：
  描述：

  trans-[IrCl(N2)(PPh3)2] 、 4-三甲基硅基-3-丁炔-2-酮 以 苯 为溶剂， 以78%的产率得到trans-[Ir(triphenylphosphine)2Cl(η2-Me3SiCCCOMe)]
  参考文献：
  名称：

  On the reactivity of [IrCl(N2)(PPh3)2] with alkynylsilanes – A new route to vinylidene iridium(I) complexes

  摘要：

  The iridium dinitrogen complex [IrCl(N-2)(PPh3)(2)] (1) was found to react with alkynylsilanes RC CSiR'(3) to form the vinylidene iridium(I) complexes trans-[IrCl{=C=CR(SiR'(3))}(PPh3)(2)] (R/R'=Ph/Me, 2; Me/Me, 3; Bn/Me, 4; SiMe3/Me, 5; SiEt3/Et, 6; Pr-i/Me, 7) and with Me3SiC CC(O)R to yield the iridium eta(2)-alkyne complexes trans-[IrCI(eta(2)-Me3SiC CC(O)R}(PPh3)(2)] (R = OEt, 9; Me, 11). Complex 9 was found to isomerize upon heating or upon UV irradiation yielding the vinylidene complex trans-[IrCl{=C=C(SiMe3)-CO2Et)(PPh3)(2)] (10). The reaction of 1 with Me3SiC C-C CSiMe3 yielded the complex trans-[IrCl(=C=C(SiMe3)C CSi-Me-3} (PPh3)(2)] (8), whereas with MeO2CC CCO2Me the iridacyclopentadiene complex [Ir{C-4(CO2Me)(4)}Cl(PPh3)(2)] (13) was formed. The complexes were characterized by means of H-1, C-13 and P-31 NMR spectroscopy as well as by IR spectroscopy and microanalysis. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2006.02.025