(η(5)-C5Me5)Ir(CO)(H)(η(1)-C2H3) | 175404-43-0

• 英文名称: (η(5)-C5Me5)Ir(CO)(H)(η(1)-C2H3)
• CAS: 175404-43-0
• 化学式: C₁₃H₁₉IrO
• 分子量: 383.513
• InChiKey: BVUZEVAUWYIFPW-UHFFFAOYSA-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：

  (pentamethylcyclopentadienyl)(dicarbonyl)iridium(I) 、 乙烯 以 further solvent(s) 为溶剂， 生成 (η(5)-C5Me5)Ir(CO)(η(2)-C2H4) 、 bis(ethylene)pentamethylcyclopentadienyl iridium 、 (η(5)-C5Me5)Ir(CO)(H)(η(1)-C2H3)
  参考文献：
  名称：

  “Solvent-Free” Photochemical Activation of CH₄, C₂H₄, and C₂H₆ by (C₅Me₅)Ir(CO)₂ in Supercritical Fluid Solution

  摘要：

  We report the activation of H-2 and light hydrocarbons (CH4, C2H4, and C2H6) by Cp*Ir(CO)(2) (Cp* = eta(5)-C(5)Me(5)) in supercritical fluid solution. The reactions have been carried out both in the presence of a supercritical solvent (scCO(2), scXe, or scCHF(3)) or ''solvent-free'' in the pure supercritical hydrocarbon (scCH(4), scC(2)H(4), or scC(2)H(6)). As far as We are aware, this is the first use of scCH(4) as a solvent for photochemical reactions. The presence of H-2 in scC(2)H(6) greatly enhances the effectiveness of the C-H activation, but even in the presence of D-2, Cp*Ir(CO)(H)Et and not Cp*Ir(CO)(D)Et is formed. Reaction of Cp*Ir(CO)(2) with H-2 occurs efficiently in CHF3, but C-H activation of C2H6 is almost suppressed in this mixed scC(2)H(6)/ scCHF(3) fluid, possibly through H-bonding to the metal center. A technique for recovering the products from milligram-scale reactions is described.

  DOI：

  10.1021/om950669s