[RuCl2(hexamethylbenzene)(1,4-dibutyl-3-methyl-1,2,3-triazolylidene)] | 1268247-21-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: [RuCl2(hexamethylbenzene)(1,4-dibutyl-3-methyl-1,2,3-triazolylidene)]
• CAS: 1268247-21-7
• 化学式: C₂₃H₃₉Cl₂N₃Ru
• 分子量: 529.559
• InChiKey: LQJRWTJOSPNXJS-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -0.81
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  18.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  [RuCl2(hexamethylbenzene)(1,4-dibutyl-3-methyl-1,2,3-triazolylidene)] 、 sodium carbonate 以 乙醇 为溶剂， 以75%的产率得到[Ru(carbonato)(hexamethylbenzene)(1,4-dibutyl-3-methyl-1,2,3-triazolylidene)]
  参考文献：
  名称：

  Oxidations and Oxidative Couplings Catalyzed by Triazolylidene Ruthenium Complexes

  摘要：

  A series of "Ru-II(eta(6)-arene)" complexes with 1,2,3-triazolylidene ligands have been prepared and fully characterized. The molecular structure of one of the new complexes has been determined by means of X-ray diffractrometry. The new complexes have been tested in a set of catalytic reactions involving alcohols and amines as substrates, including (i) base-free oxidation of benzylic alcohols to benzaldehydes, (ii) homocoupling of amines to form imines, and (iii) oxidative coupling of amines and alcohols to form amides. The results show the high versatility of the catalysts used and illustrate the application potential of 1,2,3-triazolylidene ligands in the design of effective homogeneous catalysts.

  DOI：

  10.1021/om101145y
• 作为产物：
  描述：

  [RuCl2(hexamethylbenzene)]2 、 1,4-dibutyl-3-methyl-1,2,3-triazolium iodide monohydrate 在 silver oxide 作用下， 以 二氯甲烷 为溶剂， 以62%的产率得到[RuCl2(hexamethylbenzene)(1,4-dibutyl-3-methyl-1,2,3-triazolylidene)]
  参考文献：
  名称：

  Oxidations and Oxidative Couplings Catalyzed by Triazolylidene Ruthenium Complexes

  摘要：

  A series of "Ru-II(eta(6)-arene)" complexes with 1,2,3-triazolylidene ligands have been prepared and fully characterized. The molecular structure of one of the new complexes has been determined by means of X-ray diffractrometry. The new complexes have been tested in a set of catalytic reactions involving alcohols and amines as substrates, including (i) base-free oxidation of benzylic alcohols to benzaldehydes, (ii) homocoupling of amines to form imines, and (iii) oxidative coupling of amines and alcohols to form amides. The results show the high versatility of the catalysts used and illustrate the application potential of 1,2,3-triazolylidene ligands in the design of effective homogeneous catalysts.

  DOI：

  10.1021/om101145y