| 148539-72-4

• CAS: 148539-72-4
• 化学式: C₄₄H₃₈IrNOP₂
• 分子量: 850.959
• InChiKey: LMELSIKUPQTYDP-UHFFFAOYSA-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：

  在 CO 作用下， 以 苯 为溶剂， 生成
  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
• 作为产物：
  描述：

  bis(triphenylphosphine)iridium(I) carbonyl chloride 、 lithium p-toluidinate 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  铱的单核芳酰胺基络合物（I）

  摘要：

  The preparation and the first structural characterization of arylamido complexes of Ir(I), having the general formula trans-Ir(CO)(NHAr)(PPh3)2, where Ar = Ph (1), p-C6H4Me (2), 2,6-C6H3Me2 (3), are described. Preliminary results of their facile insertion reactions with CO and CO2 are also discussed.

  DOI：

  10.1021/om00031a001