[(η5-Cp*)IrCl2(PH2-2,6-dimesitylphenyl)] | 1187643-58-8

• 英文名称: [(η5-Cp*)IrCl2(PH2-2,6-dimesitylphenyl)]
• CAS: 1187643-58-8
• 化学式: C₃₄H₄₂Cl₂IrP
• 分子量: 744.807
• InChiKey: YRDMOTUHNDRZBF-UHFFFAOYSA-L

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

• 作为反应物：
  描述：

  [(η5-Cp*)IrCl2(PH2-2,6-dimesitylphenyl)] 、 2,6-二甲基苯基异腈 在 1,8-diazabicyclo-[5.4.0]undec-7-ene 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 生成 [(η5-Cp*)(2,6-xylyl isocyanide)Ir=P(2,6-dimesitylphenyl)]
  参考文献：
  名称：

  Iridium Phosphinidene Complexes: A Comparison with Iridium Imido Complexes in Their Reaction with Isocyanides

  摘要：

  18-Electron nucleophilic, Schrock-type phosphinidene complexes 3 [Cp*(Xy-N C)Ir PAr] (Ar = Mes*, Dmp, Mes) are capable of unprecedented [1 + 2]-cycloadditions with 1 equiv of isocyanide RNC (R = Xy, Ph) to give novel inclaphosphirane complexes [Cp*(Xy-N C)IrPArC=NR]. Their structures were ascertained by X-ray diffraction. Density functional theory investigations on model structures revealed that the iridaphosphirane complexes are formed from the addition of the isocyanicle to 16-electron species [Cp*Ir=PAr] forming first complex 3 that subsequently reacts with another isocyanicle to give the products following a different pathway than its nitrogen analogue [Cp*Ir Nt-Bu] 1.

  DOI：

  10.1021/ja9048509
• 作为产物：
  描述：

  bis[dichloro(pentamethylcyclopentadienyl)iridium(III)] 、 2,6-dimesitylphenylphosphine 以 二氯甲烷 为溶剂， 以98%的产率得到[(η5-Cp*)IrCl2(PH2-2,6-dimesitylphenyl)]
  参考文献：
  名称：

  Iridium Phosphinidene Complexes: A Comparison with Iridium Imido Complexes in Their Reaction with Isocyanides

  摘要：

  18-Electron nucleophilic, Schrock-type phosphinidene complexes 3 [Cp*(Xy-N C)Ir PAr] (Ar = Mes*, Dmp, Mes) are capable of unprecedented [1 + 2]-cycloadditions with 1 equiv of isocyanide RNC (R = Xy, Ph) to give novel inclaphosphirane complexes [Cp*(Xy-N C)IrPArC=NR]. Their structures were ascertained by X-ray diffraction. Density functional theory investigations on model structures revealed that the iridaphosphirane complexes are formed from the addition of the isocyanicle to 16-electron species [Cp*Ir=PAr] forming first complex 3 that subsequently reacts with another isocyanicle to give the products following a different pathway than its nitrogen analogue [Cp*Ir Nt-Bu] 1.

  DOI：

  10.1021/ja9048509