[Ru(η⁶-C₆Me₆)Cl₂(tris(dimethylamino)phosphine)] | 1323156-00-8

• 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: [Ru(η⁶-C₆Me₆)Cl₂(tris(dimethylamino)phosphine)]
• 英文别名: [Ru(η⁶-C₆Me₆)Cl₂P(NMe₂)₃]；[RuCl₂(η6-C₆Me₆){P(NMe₂)₃}]；[RuCl2(η6-C6Me6){P(NMe2)3}]；RuCl2(η6-C6Me6){P(NMe2)3}；[RuCl2(η6-hexamethylbenzene)(tris(dimethylamino)phosphine)]
• CAS: 1323156-00-8
• 化学式: C₁₈H₃₆Cl₂N₃PRu
• 分子量: 497.454
• InChiKey: FBWFCXBLJKNZGR-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  5.84
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  9.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  [Ru(η⁶-C₆Me₆)Cl₂(tris(dimethylamino)phosphine)] 、 水 以 水 为溶剂， 以51%的产率得到[RuCl2(η6-hexamethylbenzene)(dimethylamino)]
  参考文献：
  名称：

  Arene–Ruthenium(II) Complexes Containing Inexpensive Tris(dimethylamino)phosphine: Highly Efficient Catalysts for the Selective Hydration of Nitriles into Amides

  摘要：

  The catalytic hydration of nitriles into amides, in water under neutral conditions, has been studied using a series of arene-ruthenium(II) derivatives containing the commercially available and inexpensive ligand tris(dimethylamino)phosphine. Among them, best results were obtained with the complex [RuCl2(eta(6)-C6Me6){P(NMe2)(3)}], which selectively provided the desired amides in excellent yields and short times (TOF values up to 11 400 h(-1)). The process was operative with both aromatic, heteroaromatic, aliphatic, and alpha,beta-unsaturated organonitriles and showed a high functional group tolerance. The stability of [RuCl2(eta(6)-C6Me6){P(NMe2)(3)}] in water was evaluated, observing its progressive decomposition into the less-active dimethylamine nithenium(II) complex [RuCl2(eta(6)-C6Me6)(NHMe2)] by hydrolysis of the coordinated P(NMe2)(3) ligand. The X-ray crystal structure determination of the toluene complex [RuCl2(eta(6)-C6H5Me){P(NMe2)(3)}] is also included.

  DOI：

  10.1021/om2006563
• 作为产物：
  描述：

  [RuCl2(hexamethylbenzene)]2 、 三(二甲胺基)膦 以 二氯甲烷 为溶剂， 以71%的产率得到[Ru(η⁶-C₆Me₆)Cl₂(tris(dimethylamino)phosphine)]
  参考文献：
  名称：

  Arene–Ruthenium(II) Complexes Containing Inexpensive Tris(dimethylamino)phosphine: Highly Efficient Catalysts for the Selective Hydration of Nitriles into Amides

  摘要：

  The catalytic hydration of nitriles into amides, in water under neutral conditions, has been studied using a series of arene-ruthenium(II) derivatives containing the commercially available and inexpensive ligand tris(dimethylamino)phosphine. Among them, best results were obtained with the complex [RuCl2(eta(6)-C6Me6){P(NMe2)(3)}], which selectively provided the desired amides in excellent yields and short times (TOF values up to 11 400 h(-1)). The process was operative with both aromatic, heteroaromatic, aliphatic, and alpha,beta-unsaturated organonitriles and showed a high functional group tolerance. The stability of [RuCl2(eta(6)-C6Me6){P(NMe2)(3)}] in water was evaluated, observing its progressive decomposition into the less-active dimethylamine nithenium(II) complex [RuCl2(eta(6)-C6Me6)(NHMe2)] by hydrolysis of the coordinated P(NMe2)(3) ligand. The X-ray crystal structure determination of the toluene complex [RuCl2(eta(6)-C6H5Me){P(NMe2)(3)}] is also included.

  DOI：

  10.1021/om2006563
• 作为试剂：
  描述：

  对氰基苯乙酮 在 [Ru(η⁶-C₆Me₆)Cl₂(tris(dimethylamino)phosphine)] 、 水 作用下， 反应 1.5h， 以82%的产率得到4-乙酰基-苯甲酰胺
  参考文献：
  名称：

  Arene–Ruthenium(II) Complexes Containing Inexpensive Tris(dimethylamino)phosphine: Highly Efficient Catalysts for the Selective Hydration of Nitriles into Amides

  摘要：

  The catalytic hydration of nitriles into amides, in water under neutral conditions, has been studied using a series of arene-ruthenium(II) derivatives containing the commercially available and inexpensive ligand tris(dimethylamino)phosphine. Among them, best results were obtained with the complex [RuCl2(eta(6)-C6Me6){P(NMe2)(3)}], which selectively provided the desired amides in excellent yields and short times (TOF values up to 11 400 h(-1)). The process was operative with both aromatic, heteroaromatic, aliphatic, and alpha,beta-unsaturated organonitriles and showed a high functional group tolerance. The stability of [RuCl2(eta(6)-C6Me6){P(NMe2)(3)}] in water was evaluated, observing its progressive decomposition into the less-active dimethylamine nithenium(II) complex [RuCl2(eta(6)-C6Me6)(NHMe2)] by hydrolysis of the coordinated P(NMe2)(3) ligand. The X-ray crystal structure determination of the toluene complex [RuCl2(eta(6)-C6H5Me){P(NMe2)(3)}] is also included.

  DOI：

  10.1021/om2006563

文献信息

• Arene–Ruthenium(II) Complexes Containing Inexpensive Tris(dimethylamino)phosphine: Highly Efficient Catalysts for the Selective Hydration of Nitriles into Amides
  作者：Rocío García-Álvarez、Josefina Díez、Pascale Crochet、Victorio Cadierno

  DOI：10.1021/om2006563

  日期：2011.10.24

  The catalytic hydration of nitriles into amides, in water under neutral conditions, has been studied using a series of arene-ruthenium(II) derivatives containing the commercially available and inexpensive ligand tris(dimethylamino)phosphine. Among them, best results were obtained with the complex [RuCl2(eta(6)-C6Me6)P(NMe2)(3)}], which selectively provided the desired amides in excellent yields and short times (TOF values up to 11 400 h(-1)). The process was operative with both aromatic, heteroaromatic, aliphatic, and alpha,beta-unsaturated organonitriles and showed a high functional group tolerance. The stability of [RuCl2(eta(6)-C6Me6)P(NMe2)(3)}] in water was evaluated, observing its progressive decomposition into the less-active dimethylamine nithenium(II) complex [RuCl2(eta(6)-C6Me6)(NHMe2)] by hydrolysis of the coordinated P(NMe2)(3) ligand. The X-ray crystal structure determination of the toluene complex [RuCl2(eta(6)-C6H5Me)P(NMe2)(3)}] is also included.