trans-[bis(triphenylphosphine)(carbonyl)(p-nitrophenylamido)iridium(I)] | 155542-77-1

• 英文名称: trans-[bis(triphenylphosphine)(carbonyl)(p-nitrophenylamido)iridium(I)]
• CAS: 155542-77-1
• 化学式: C₄₃H₃₅IrN₂O₃P₂
• 分子量: 881.93
• InChiKey: WFAIRUAQOATTIC-UHFFFAOYSA-N

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 、 lithium 2,6-dimethylanilide 以 四氢呋喃 为溶剂， 生成 trans-[bis(triphenylphosphine)(carbonyl)(p-nitrophenylamido)iridium(I)]
  参考文献：
  名称：

  反式Ir（PPh3）2（CO）（NHAr）配合物的合成，表征及与CO的反应

  摘要：

  The synthesis and characterization of Ir(I)-arylamido complexes, trans-Ir(PPh3)2(CO)(NHAr), where Ar = C6H5, p-C6H4Me, o-C6H4Me, 3,5-C6H3Me2, 2,6-C6H3Me2, p-C6H4Cl, and p-C6H4NO2, are described. These complexes, except trans-Ir(PPh3)2(CO)[NH(p-C6H4NO2)], undergo rapid reactions with CO at atmospheric pressure and ambient temperatures. For the complexes containing the sterically bulky NH(3,5-C6H3Me2) and NH(2,6-C6H3Me2) ligands, the CO reactions generate carbamoyl moieties, which result from an insertion of CO into the iridium-nitrogen bond. The end products in the reactions of the other arylamido complexes with CO contain orthometalated carbamoyl moieties, with the generation of hydrido-Ir(III) centers. Intermediates leading to the formation of the orthometalated complexes are discussed. Crystal data for trans-Ir(PPh3)2(CO)[NH(3,5-C6H3Me2)].0.5C6H6: C48H43IrNOP2; triclinic P1BAR, a = 9.072(2) angstrom, b = 11.667(2) angstrom, c = 21.133(4) angstrom, alpha = 88.74(2)-degrees, beta = 81.24(2)-degrees, gamma = 73.74(2)-degrees, V = 2121.9(7) angstrom3, Z = 2, R(F) = 0.035, and R(w)(F) = 0.049 for 5038 (F > 5sigma(F)) reflections.

  DOI：

  10.1021/om00017a035