[Ir(COD)(PMe3)3]O2CPh | 1375414-90-6

• 英文名称: [Ir(COD)(PMe3)3]O2CPh
• 英文别名: [Ir(COD)(PMe₃)₃]O₂CPh；[Ir(COD)(tris-trimethylphosphine)]O₂CPh；[Ir(COD)(PMe3)3](PhCOO)；[Ir(1,5-cyclooctadiene)(trimethylphosphine)3](PhCOO)
• CAS: 1375414-90-6
• 化学式: C₇H₅O₂*C₁₇H₃₉IrP₃
• 分子量: 649.753
• InChiKey: OUBYCFRGFSTXBD-XRGHXPOKSA-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：

  [Ir(COD)(PMe3)3]O2CPh 、 氢气 以 均三甲苯 为溶剂， 以95.2%的产率得到mer-[IrH2(benzoato)(trimethylphosphine)3]
  参考文献：
  名称：

  Aqueous Organometallic Chemistry of mer-Ir(H)₂(PMe₃)₃X Complexes

  摘要：

  A series of Ir(H)(2)(PMe3)(3)X compounds where X = various anionic ligancls has been synthesized. The most studied of this group with X = Cl has been characterized fully, including by X-ray crystallography. For X = Cl, PhCO2-, dissolution in water results in the establishment of the equilibrium Ir(H)(2)(PMe3)(3)X + H2O = [Ir(H)(2)(PMe3)(3)(H2O)]X-+(-), which is responsible for the reaction of these compounds with unsaturated organic compounds. Reactions between the dihydrides and alkynes in water as well as the thermodynamics of the aqueous equilibrium are discussed.

  DOI：

  10.1021/om300140f
• 作为产物：
  描述：

  [Ir(1,5-cyclooctadiene)(benzoato)]2 、 三甲基膦 以 甲苯 为溶剂， 以74.5%的产率得到[Ir(COD)(PMe3)3]O2CPh
  参考文献：
  名称：

  Aqueous Organometallic Chemistry of mer-Ir(H)₂(PMe₃)₃X Complexes

  摘要：

  A series of Ir(H)(2)(PMe3)(3)X compounds where X = various anionic ligancls has been synthesized. The most studied of this group with X = Cl has been characterized fully, including by X-ray crystallography. For X = Cl, PhCO2-, dissolution in water results in the establishment of the equilibrium Ir(H)(2)(PMe3)(3)X + H2O = [Ir(H)(2)(PMe3)(3)(H2O)]X-+(-), which is responsible for the reaction of these compounds with unsaturated organic compounds. Reactions between the dihydrides and alkynes in water as well as the thermodynamics of the aqueous equilibrium are discussed.

  DOI：

  10.1021/om300140f

文献信息

• Alkyne reactions with trimethylphosphine complexes of iridium: Lessons for the catalysis of vinyl ester formation and alkyne dimerization
  作者：Joseph S. Merola、Folami T. Ladipo

  DOI：10.1016/j.poly.2013.12.017

  日期：2014.3

  The combination of iridium with trimethylphosphine ligands yields very electron rich iridium compounds that are active for terminal alkyne dimerization chemistry as well as the addition of carboxylic acids to alkynes. The structures, catalytic and stoichiometric chemistry of some iridium tris-trimethly-phosphine compounds with benzoate ligands are detailed in this paper. The roles that these compounds may play in the catalytic cycles involved in the dimerization of terminal alkynes and the addition of benzoic acid to terminal alkynes are examined and possible mechanisms for these catalytic reactions are proposed. (C) 2013 Elsevier Ltd. All rights reserved.