mer-[IrH(CHCHCMe3)(benzoato)(trimethylphosphine)3] | 175231-86-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: mer-[IrH(CHCHCMe3)(benzoato)(trimethylphosphine)3]
• CAS: 175231-86-4
• 化学式: C₂₂H₄₄IrO₂P₃
• 分子量: 625.731
• InChiKey: MPYWTQNKOSWALK-UHFFFAOYSA-M

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：

  3,3-二甲基-1-丁炔 、 mer-[IrH2(benzoato)(trimethylphosphine)3] 以 水 为溶剂， 以91.2%的产率得到mer-[IrH(CHCHCMe3)(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