[Me2C3HN2C5H3NC3H3N2(n-butyl)]I | 905718-08-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: [Me2C3HN2C5H3NC3H3N2(n-butyl)]I
• 英文别名: 2-(3-Butylimidazol-3-ium-1-yl)-6-(3,5-dimethylpyrazol-1-yl)pyridine;iodide
• CAS: 905718-08-3
• 化学式: C₁₇H₂₂N₅*I
• 分子量: 423.3
• InChiKey: IGMXFIFDNYMEOC-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.23
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  39.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  [Me2C3HN2C5H3NC3H3N2(n-butyl)]I 、 水合三氯化钌 、 一氧化碳 、 potassium iodide 以 乙二醇 为溶剂， 以0%的产率得到(Me2C3HN2C5H3NC3H2N2(n-butyl))RuI2(CO)
  参考文献：
  名称：

  带有吡啶基支撑的吡唑基-N-杂环碳烯（NNC）配体的钌（II）配合物及其在酮转移加氢中的催化活性

  摘要：

  由RuCl 3 ·3H 2 O与吡啶负载的吡咯-3-咪唑盐的反应合成了带有吡啶负载的吡唑-3- -3- N-杂环卡宾（NNC）配体的钌（II）配合物。一氧化碳的存在。这些Ru（II）配合物在回流的2-丙醇中的酮转移氢化中表现出良好的催化活性。预催化剂中配位不饱和Ru（II）中心的形成归因于Ru（II）配合物的高催化活性。

  DOI：

  10.1021/om8006213
• 作为产物：
  描述：

  2-bromo-6-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine 在 氢化钾 作用下， 以 二乙二醇二甲醚 、 乙酸乙酯 为溶剂， 反应 192.0h， 生成 [Me2C3HN2C5H3NC3H3N2(n-butyl)]I
  参考文献：
  名称：

  Pyridyl-Supported Pyrazolyl−N-Heterocyclic Carbene Ligands and the Catalytic Activity of Their Palladium Complexes in Suzuki−Miyaura Reactions

  摘要：

  [GRAPHICS]Palladium complexes of two new types of unsymmetrical pyridyl-supported pyrazolyl-N-heterocyclic carbene ligands were synthesized and structurally characterized. A strategy to release the steric strain of the ligand was realized by the introduction of methylene linkers to the ligand molecule. All the palladium complexes exhibited good to excellent catalytic activity in Suzuki-Miyaura reactions of phenyl or p-tolylboronic acid with aryl halides including iodobenzene, aryl bromides, and activated aryl chlorides under mild conditions, revealing that the new ligands are promising for the construction of highly active transition-metal catalysts.

  DOI：

  10.1021/jo060795d

文献信息

• Pyridyl-Supported Pyrazolyl−<i>N</i>-Heterocyclic Carbene Ligands and the Catalytic Activity of Their Palladium Complexes in Suzuki−Miyaura Reactions
  作者：Zeng、Yu

  DOI：10.1021/jo060795d

  日期：2006.7.1

  [GRAPHICS]Palladium complexes of two new types of unsymmetrical pyridyl-supported pyrazolyl-N-heterocyclic carbene ligands were synthesized and structurally characterized. A strategy to release the steric strain of the ligand was realized by the introduction of methylene linkers to the ligand molecule. All the palladium complexes exhibited good to excellent catalytic activity in Suzuki-Miyaura reactions of phenyl or p-tolylboronic acid with aryl halides including iodobenzene, aryl bromides, and activated aryl chlorides under mild conditions, revealing that the new ligands are promising for the construction of highly active transition-metal catalysts.
• Ruthenium(II) Complexes Bearing a Pyridyl-Supported Pyrazolyl−N-Heterocyclic Carbene (NNC) Ligand and Their Catalytic Activity in the Transfer Hydrogenation of Ketones
  作者：Fanlong Zeng、Zhengkun Yu

  DOI：10.1021/om8006213

  日期：2008.11.24

  Ruthenium(II) complexes bearing a pyridyl-supported pyrazol-3-yl−N-heterocyclic carbene (NNC) ligand were synthesized from the reactions of RuCl3·3H2O with pyridyl-supported pyrazol-3-yl−imidazolium salts in the presence of carbon monoxide. These Ru(II) complexes have exhibited good to excellent catalytic activity in the transfer hydrogenation of ketones in refluxing 2-propanol. Formation of a coordinatively

  由RuCl 3 ·3H 2 O与吡啶负载的吡咯-3-咪唑盐的反应合成了带有吡啶负载的吡唑-3- -3- N-杂环卡宾（NNC）配体的钌（II）配合物。一氧化碳的存在。这些Ru（II）配合物在回流的2-丙醇中的酮转移氢化中表现出良好的催化活性。预催化剂中配位不饱和Ru（II）中心的形成归因于Ru（II）配合物的高催化活性。