[Tp(Me2)Ir(H2O)(C10H6(COOCH3)4)] | 501330-64-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [Tp(Me2)Ir(H2O)(C10H6(COOCH3)4)]
• 英文别名: [(hydrotris(3,5-dimethylpyrazolyl)borate)Ir(H2O)(C10H6(COOCH3)4)]；iridium(3+);tetramethyl (1Z)-1-phenylbuta-1,3-diene-1,2,3,4-tetracarboxylate;tris(3,5-dimethylpyrazol-1-yl)boranuide;hydrate
• CAS: 501330-64-9
• 化学式: C₃₃H₄₀BIrN₆O₉
• 分子量: 867.746
• InChiKey: QCKGTRCPFIDASD-VBPHADAZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  [Tp(Me2)Ir(H2O)(C10H6(COOCH3)4)] 、 氧气 以 环己烷 为溶剂， 生成 [(hydrotris(3,5-dimethylpyrazolyl)borato)Ir(C(CO2CH3)C(CO2CH3)C(CO2CH3)(C(O)CO2CH3)C6H4)]
  参考文献：
  名称：

  Coupling of Internal Alkynes in Tp^Me2Ir Derivatives:  Selective Oxidation of a Noncoordinated Double Bond of the Resulting Iridacycloheptatrienes

  摘要：

  The reaction of different Tp(Me2)Ir derivatives and dimethylacetylene dicarboxylate (DMAD) allows the preparation of three different metallacycloheptatriene complexes and an unusual allyl-terminated metallacycle. The C atoms of distant C=C bonds in the metallacycles, including aromatic ones, can be converted selectively to the corresponding keto functionality under mild conditions.

  DOI：

  10.1021/ja0290375
• 作为产物：
  描述：

  (hydridotris(3,5-dimethylpyrazolyl)borate)Ir(C6H5)₂(N₂) 、 水 、 丁炔二酸二甲酯 以 环己烷 为溶剂， 生成 [Tp(Me2)Ir(H2O)(C10H6(COOCH3)4)] 、 [Tp(Me2)Ir(H2O)(C10H6(COOCH3)4)]
  参考文献：
  名称：

  Coupling of Internal Alkynes in Tp^Me2Ir Derivatives:  Selective Oxidation of a Noncoordinated Double Bond of the Resulting Iridacycloheptatrienes

  摘要：

  The reaction of different Tp(Me2)Ir derivatives and dimethylacetylene dicarboxylate (DMAD) allows the preparation of three different metallacycloheptatriene complexes and an unusual allyl-terminated metallacycle. The C atoms of distant C=C bonds in the metallacycles, including aromatic ones, can be converted selectively to the corresponding keto functionality under mild conditions.

  DOI：

  10.1021/ja0290375