| 1416009-85-2

• CAS: 1416009-85-2
• 化学式: C₁₃H₂₁Cl₂N₃PRu*Cl
• 分子量: 457.733
• InChiKey: CWAYBHRLGJGGGH-XOPGAQLWSA-K

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

• 作为产物：
  描述：

  [RuCl2(benzene)]2 、 (1r,3R,5S,7r)-1-methyl-1,3,5-triaza-7-phosphaadamantan-1-ium chloride 以 四氢呋喃 为溶剂， 反应 24.0h， 以77%的产率得到
  参考文献：
  名称：

  Catalytic isomerization of allylic alcohols promoted by complexes [RuCl2(η6-arene)(PTA-Me)] under homogeneous conditions and supported on Montmorillonite K-10

  摘要：

  The mononuclear arene-ruthenium(II) derivatives [RuCl2(eta(6)-arene)(PTA-Me)] (arene = C6H6 (3a), p-cymene (3b), 1,3,5-C6H3Me3 (3c), C6Me6 (3d)), containing the ionic phosphine ligand 1-methyl-3,5-diaza-1-azonia-7-phosphaadamantane chloride (PTA-Me), have been synthesized and fully characterized. These complexes were evaluated as potential catalysts for the redox isomerization of allylic alcohols. Among them, best results in terms of activity were obtained with complex [RuCl2(eta(6)-C6H6)(PTA-Me)] (3a) which, in combination with K2CO3 (2.5 equiv. per Ru), was able to selectively isomerize a number of allylic alcohols RCH(OH)CH=CH2 (R = H, aryl, alkyl or heteroaryl group) into the corresponding carbonyl compounds RC(=O)CH2CH3 in refluxing THF (TOF values up to 800 h(-1)). Complex [RuCl2(eta(6)-C6H6)(PTA-Me)] (3a) was adsorbed onto the Montmorillonite K-10 clay, and the resulting solid proved also active in the isomerization of the model substrate 1-octen-3-ol. In addition, it could be easily separated from the reaction media by simple filtration and reused several times (up to 11 consecutive runs) with retention of its efficiency. (c) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcata.2012.10.025
• 作为试剂：
  描述：

  1-辛烯-3-醇 在 C₁₃H₂₁Cl₂N₃PRu⁽¹⁺⁾*Cl^(1-) 、 potassium carbonate 作用下， 以 四氢呋喃 为溶剂， 反应 0.58h， 以91%的产率得到3-辛酮
  参考文献：
  名称：

  Catalytic isomerization of allylic alcohols promoted by complexes [RuCl2(η6-arene)(PTA-Me)] under homogeneous conditions and supported on Montmorillonite K-10

  摘要：

  The mononuclear arene-ruthenium(II) derivatives [RuCl2(eta(6)-arene)(PTA-Me)] (arene = C6H6 (3a), p-cymene (3b), 1,3,5-C6H3Me3 (3c), C6Me6 (3d)), containing the ionic phosphine ligand 1-methyl-3,5-diaza-1-azonia-7-phosphaadamantane chloride (PTA-Me), have been synthesized and fully characterized. These complexes were evaluated as potential catalysts for the redox isomerization of allylic alcohols. Among them, best results in terms of activity were obtained with complex [RuCl2(eta(6)-C6H6)(PTA-Me)] (3a) which, in combination with K2CO3 (2.5 equiv. per Ru), was able to selectively isomerize a number of allylic alcohols RCH(OH)CH=CH2 (R = H, aryl, alkyl or heteroaryl group) into the corresponding carbonyl compounds RC(=O)CH2CH3 in refluxing THF (TOF values up to 800 h(-1)). Complex [RuCl2(eta(6)-C6H6)(PTA-Me)] (3a) was adsorbed onto the Montmorillonite K-10 clay, and the resulting solid proved also active in the isomerization of the model substrate 1-octen-3-ol. In addition, it could be easily separated from the reaction media by simple filtration and reused several times (up to 11 consecutive runs) with retention of its efficiency. (c) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcata.2012.10.025