[IrHCl(CO){κ³-P,C,P′-CH(NCH₂PCy₂)₂C₁₀H₆}] | 1415041-33-6

• 英文名称: [IrHCl(CO){κ³-P,C,P′-CH(NCH₂PCy₂)₂C₁₀H₆}]
• CAS: 1415041-33-6
• 化学式: C₃₈H₅₆ClIrN₂OP₂
• 分子量: 846.496
• InChiKey: SKRYHPQBVKZYPK-UHFFFAOYSA-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

• 作为产物：
  描述：

  bis(triphenylphosphine)iridium(I) carbonyl chloride 、 N,N′-bis(dicyclohexylphoshinomethyl)-2,3-dihydroperimidine 反应 2.0h， 以93%的产率得到[IrHCl(CO){κ³-P,C,P′-CH(NCH₂PCy₂)₂C₁₀H₆}]
  参考文献：
  名称：

  Dihydroperimidine-Derived N-Heterocyclic Pincer Carbene Complexes via Double C–H Activation

  摘要：

  The reactions of 1,8-diaminonaphthalene with paraformaldehyde and secondary phosphines (HPR2, R = Ph, Cy) directly afford N,N'-bis(phoshinomethyl)-dihydroperimidines H2C(NCH2PR2)(2)C10H6 (R = Ph (la), Cy (1b)), the methylene group of which undergoes chelate-assisted double C-H activation with [RhCl-(PPh3)(3)] to afford dihydroperimidine-derived N-heterocyclic pincer carbene (per-NHC) complexes [RhCl{=C(NCH2PR2)(2)C10H6}] (R = Ph (2a), Cy (2b)). Insight into the mechanism of these C-H activation processes is provided by the reaction of 1b with [IrCl(CO)(PPh3)(2)] to provide the dihydroperimidinyl-hydrido complex [IrHCl(CO){CH(NCH2PR2)(2)C10H6}] (3b), which in turn reacts with silver salts Ag[Y] to afford, via hydride abstraction and subsequent C H activation, the per-NHC ligated salts [IrHCl(CO){=C(NCH2PR2)(2)C10H6}] ([4b]Y, Y = PF6, SbF6, PO2F2).

  DOI：

  10.1021/om300897w