IrH(CO)(κ1-OC(O)OH)(C6H3-2,6-(CH2PBu(t)2)2) | 625121-20-2

• 英文名称: IrH(CO)(κ1-OC(O)OH)(C6H3-2,6-(CH2PBu(t)2)2)
• CAS: 625121-20-2
• 化学式: C₂₆H₄₅IrO₄P₂
• 分子量: 675.808
• InChiKey: DBPNPLRHIHMZOU-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：

  [Ir(C6H3-2,6-(CH2PBu(t)2)2)]2N2 以 环己烷 、 氘代甲苯 为溶剂， 生成 IrH(CO)(κ1-OC(O)OH)(C6H3-2,6-(CH2PBu(t)2)2)
  参考文献：
  名称：

  Reactivity of Iridium PCP Pincer Complexes toward CO and CO₂. Crystal Structures of IrH(κ²-O₂COH){C₆H₃-2,6-(CH₂PBu^t₂)₂} and IrH(C(O)OH){C₆H₃-2,6-(CH₂PBu^t₂)₂}·H₂O

  摘要：

  The reactivity of a series of PCP pincer complexes with carbon monoxide and carbon dioxide has been studied. The reactions of CO2 with PCP pincer iridium complexes provide the 16-electron complex Ir(eta(2)-CO2){C6H3-2,6-(CH2PBu2t)(2)} (2). Analogously, reactions with CO yield the 16-electron monocarbonyl compound Ir(CO){C6H3-2,6-(CH2PBu2t)(2)} (4). When IrH(OH)-{C6H3-2,6-(CH2PBu2t)(2)} (1b) is reacted with CO2, the hydrido bicarbonate complex IrH(kappa(2)- O2COH){C6H3-2,6-(CH2PBu2t)(2)} (3) is obtained. Analogously, when IrH2{C6H3-2,6-(CH2PBu2t)(2)} (1a) is reacted first with CO2 and then with H2O, the reaction affords the same species (3). Thus, compound 3 can be obtained irrespective of the order of addition of the substrates CO2 and H2O to 1a. Similarly, the reaction of 1b with CO affords the insertion product IrH(C(O)OH){C6H3-2,6-(CH2PBu2t)(2)} (5). The identities of 3 and 5 have been confirmed by single-crystal X-ray structure determinations.

  DOI：

  10.1021/om030453n