(1,3-bis(2,6-diisopropylphenyl)-2,3-dihydro-1H-imidazol-2-yl)(1,3-diethylimidazolidin-2-yl)palladium(IV) chloride | 1207373-09-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: (1,3-bis(2,6-diisopropylphenyl)-2,3-dihydro-1H-imidazol-2-yl)(1,3-diethylimidazolidin-2-yl)palladium(IV) chloride
• CAS: 1207373-09-8
• 化学式: C₃₄H₅₀Cl₂N₄Pd
• 分子量: 692.124
• InChiKey: SEUPMJPORIHXDT-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  9.99
• 重原子数：
  41.0
• 可旋转键数：
  10.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  12.96
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  (1,3-bis(2,6-diisopropylphenyl)-2,3-dihydro-1H-imidazol-2-yl)(1,3-diethylimidazolidin-2-yl)palladium(IV) chloride 在 三氟乙酸 作用下， 以 氘代氯仿 为溶剂， 反应 12.0h， 以100%的产率得到1,3-双(2,6-二异丙基苯基)氯化咪唑鎓
  参考文献：
  名称：

  Biscarbene Palladium(II) Complexes. Reactivity of Saturated Versus Unsaturated N-Heterocyclic Carbenes

  摘要：

  A series of designed palladium biscarbene complexes including saturated and unsaturated N-heterocyclic carbene (NHC) moieties have been prepared by the carbene transfer methods. All of these complexes have been characterized by H-1 and C-13 NMR spectroscopy as well as X-ray diffraction analysis, The reactivity of Pd-C-(saturated NHC) is distinct from that of Pd-C-(unsaturated NHC). The Pd-C-(saturated NHC) bonds are fairly stable toward reagents such as CF3COOH, AgBF4 and I-2, whereas Pd-C-(unsaturated NHC) bonds are readily cleaved under the similar conditions. Notably, the catalytically activity of these palladium complexes on Suzuki-Miyaura coupling follows the order: (sat-NHC)(2)PdCl2 > (sat-NHC)(unsat-NHC)PdCl2 > (unsat-NHC)(2)PdCl2.

  DOI：

  10.1021/ic9025188