[κ1(C(1),C(4))-C(CO2Me)=C(CO2Me)C(CO2Me)=C(CO2Me)](PPh3)2Ir(CO)(CH=C(CH2)4) | 1052704-51-4

• 英文名称: [κ1(C(1),C(4))-C(CO2Me)=C(CO2Me)C(CO2Me)=C(CO2Me)](PPh3)2Ir(CO)(CH=C(CH2)4)
• CAS: 1052704-51-4
• 化学式: C₅₅H₅₁IrO₉P₂
• 分子量: 1110.17
• InChiKey: LQYZAXWXOSDCNW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：

  trans-[Ir(triphenylphosphine)2Cl(C4(CO2Me)4)] 、 1-乙炔基环戊醇 以 氘代氯仿 、 水 为溶剂， 生成 [κ1(C(1),C(4))-C(CO2Me)=C(CO2Me)C(CO2Me)=C(CO2Me)](PPh3)2Ir(CO)Cl 、 [κ1(C(1),C(4))-C(CO2Me)=C(CO2Me)C(CO2Me)=C(CO2Me)](PPh3)2Ir(CO)(CH=C(CH2)4)
  参考文献：
  名称：

  Iridium(III)–vinylidene chemistry: Conversion of an iridacyclopentadiene-chlorido complex and terminal alkynes to iridacyclopentadiene–vinyl complexes

  摘要：

  The reactions of [kappa(2)(C-1, C-4)-CR=CRCR=CR](PPh3)(2)Ir(Cl) (9, R=CO2Me) with propargyl alcohol derivatives (2-propyn-1-ol, 2-methyl-3-butyn-2-ol, 1-ethynylcyclopentanol, and 1-ethynylcyclooctanol), in the presence of water leads to the formation of iridium(III)-vinyl complexes bearing the general structure [kappa(2)(C-1, C-4)-CR=CRCR=CR](PPh3)(2)Ir(CO)(kappa(1)-vinyl) where vinyl =- CH=CH2, (E)-CH=CHMe, -CH=C(CH2)(4), or -CH=C(CH2)(7). In these, the CO ligand was derived from the terminal carbon of the starting alkyne and the oxygen atom from water. Under anhydrous conditions, 9 undergoes reaction with 2-propyn-1-ol to give trimethyl 1,3-dihydro-3-oxo-4,5,6-isobenzofurantricarboxylate, the result of a cycloaromatization/transesteri. cation involving the buta-1,3-dien1,4-diyl ligand in 9 and 2-propyn-1-ol. (c) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2007.12.019