[(2-(benzoimidazol-2-yl)-6-(3,5-dimethylpyrazol-1-yl)pyridine(-1H))RuCl(PPh3)(DMSO)] | 1035383-10-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [(2-(benzoimidazol-2-yl)-6-(3,5-dimethylpyrazol-1-yl)pyridine(-1H))RuCl(PPh3)(DMSO)]
• 英文别名: 2-[6-(3,5-dimethylpyrazol-1-yl)pyridin-2-yl]benzimidazol-1-ide;methylsulfinylmethane;ruthenium(2+);triphenylphosphane;chloride
• CAS: 1035383-10-8
• 化学式: C₃₇H₃₅ClN₅OPRuS
• 分子量: 765.281
• InChiKey: VTHFOYVXNIDYJS-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  47
• 可旋转键数：
  3
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  80.9
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  [(2-(benzoimidazol-2-yl)-6-(3,5-dimethylpyrazol-1-yl)pyridine)RuCl(PPh3)(DMSO)]Cl 在 NaHCO₃ 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 以96%的产率得到[(2-(benzoimidazol-2-yl)-6-(3,5-dimethylpyrazol-1-yl)pyridine(-1H))RuCl(PPh3)(DMSO)]
  参考文献：
  名称：

  Construction of Highly Active Ruthenium(II) NNN Complex Catalysts Bearing a Pyridyl-Supported Pyrazolyl-Imidazolyl Ligand for Transfer Hydrogenation of Ketones

  摘要：

  A family of hemilabile ruthenium(II) NNN complexes bearing a unsymmetrical 2-(benzoimidazol-2-yl)-6-(pyrazol-l-yl)pyridine ligand has been synthesized and exhibited good to excellent catalytic activity in transfer hydrogenation of ketones in refluxing 2-propanol, reaching final TOFs up to 7.2 x 10(5) h(-1) with 0.05 mol % loading. The gamma-NH effect of the benzoimidazol-2-yl moiety in the ligand and coordination modes of the metal center in a Ru(II) NNN complex has great influence on the catalytic activity of the complex catalyst in transfer hydrogenation of ketones. It has been demonstrated that one of the structural prerequisites for an active Ru(II) complex catalyst is the coordinatively unsaturated environment around the metal center in the complex or the precatalyst, and the catalytic activity of a complex catalyst can be enhanced by making its metal center cationic. This paper presents a methodology to construct new types of efficient Ru(II) complex catalysts for transfer hydrogenation of ketones.

  DOI：

  10.1021/om801080p

文献信息

• Exceptionally Efficient Unsymmetrical Ruthenium(II) NNN Complex Catalysts Bearing a Pyridyl-Based Pyrazolyl−Imidazolyl Ligand for Transfer Hydrogenation of Ketones
  作者：Fanlong Zeng、Zhengkun Yu

  DOI：10.1021/om8002043

  日期：2008.7.1

  Rare ruthenium(II) complexes bearing a pyridyl-based pyrazolyl−imidazolyl ligand were synthesized and exhibited exceptionally high catalytic activity in the transfer hydrogenation of ketones in 2-propanol at 82 °C or room temperature, reaching 100% conversion of the substrates and final TOFs up to 7.2 × 105 h−1 with 0.05 mol % catalyst at 82 °C and 55 800 h−1 with 0.1 mol % catalyst at room temperature

  合成了带有吡啶基吡唑基-咪唑基配体的稀有钌（II）配合物，并在82°C或室温下在2-丙醇中的酮转移氢化中表现出极高的催化活性，达到了100％的底物转化率和最终在82°C下使用0.05 mol％的催化剂的TOF可达7.2×10 5 h -1，在室温下使用0.1 mol％的催化剂的TOF可达55 800 h -1。