[(η(5)-C5Me5)IrCl]2(μ-H)(μ-SC4H9) | 188780-11-2

• 英文名称: [(η(5)-C5Me5)IrCl]2(μ-H)(μ-SC4H9)
• CAS: 188780-11-2
• 化学式: C₂₄H₄₀Cl₂Ir₂S
• 分子量: 815.994
• InChiKey: LBBXBPSTGDYYPA-UHFFFAOYSA-K

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：

  [(η(5)-C5Me5)IrCl]2(μ-H)(μ-SC4H9) 、 硫化氢 在 C₆Me₆ 作用下， 以 苯 为溶剂， 以64%的产率得到((η5-C5(CH3)5)IrCl)(μ2-SH)2(IrCl(η5-C5Me5))
  参考文献：
  名称：

  Hydrodesulfurization of Thiophene and Benzothiophene to Butane and Ethylbenzene by a Homogeneous Iridium Complex

  摘要：

  Reaction of the dimer [Cp*IrHCl](2) (Cp* = eta(5)-C5Me5) in benzene solution with either thiophene or benzothiophene at 90 degrees C in the presence of H-2 gives the hydrogenolysis products [Cp*IrCl](2)(mu-H)(mu-SC4H9) (1) and [Cp*IrCl](2)(mu-H)[mu-S(C-6-H-4)CH2CH3] (2), respectively, in high yields. Upon further thermolysis under H-2, the completely desulfurized products, butane and ethylbenzene, can be made. Complexes 1 and 2 were characterized by single-crystal X-ray diffraction. In the absence of H-2, reaction of [Cp*Ir HCl](2) with thiophene gives an additional trinuclear product [Cp*IrCl](3)(H)(SC4H6) (3), which was also structurally characterized.

  DOI：

  10.1021/om9610105
• 作为产物：
  描述：

  [(C5(CH3)5)IrCl)2(μ-H)2] 、 丁硫醇 、 氢气 以 氘代苯 为溶剂， 以100%的产率得到[(η(5)-C5Me5)IrCl]2(μ-H)(μ-SC4H9)
  参考文献：
  名称：

  Hydrodesulfurization of Thiophene and Benzothiophene to Butane and Ethylbenzene by a Homogeneous Iridium Complex

  摘要：

  Reaction of the dimer [Cp*IrHCl](2) (Cp* = eta(5)-C5Me5) in benzene solution with either thiophene or benzothiophene at 90 degrees C in the presence of H-2 gives the hydrogenolysis products [Cp*IrCl](2)(mu-H)(mu-SC4H9) (1) and [Cp*IrCl](2)(mu-H)[mu-S(C-6-H-4)CH2CH3] (2), respectively, in high yields. Upon further thermolysis under H-2, the completely desulfurized products, butane and ethylbenzene, can be made. Complexes 1 and 2 were characterized by single-crystal X-ray diffraction. In the absence of H-2, reaction of [Cp*Ir HCl](2) with thiophene gives an additional trinuclear product [Cp*IrCl](3)(H)(SC4H6) (3), which was also structurally characterized.

  DOI：

  10.1021/om9610105