trans-[RuCl2(PPh3)(2,6-bis(3,5-dimethylpyrazol-1-yl)pyridine)] | 863663-87-0

• 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: trans-[RuCl2(PPh3)(2,6-bis(3,5-dimethylpyrazol-1-yl)pyridine)]
• 英文别名: 2,6-Bis(3,5-dimethylpyrazol-1-yl)pyridine;dichlororuthenium;triphenylphosphane
• CAS: 863663-87-0
• 化学式: C₃₃H₃₂Cl₂N₅PRu
• 分子量: 701.6
• InChiKey: HDFTUCOICLPVEW-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  7.51
• 重原子数：
  42
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  48.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,1-二苯基-2-丙炔-1-醇 、 trans-[RuCl2(PPh3)(2,6-bis(3,5-dimethylpyrazol-1-yl)pyridine)] 、 silver tetrafluoroborate 以 二氯甲烷 为溶剂， 以76%的产率得到[RuCl(PPh3)(=C=C=CPh2)(2,6-bis(3,5-dimethylpyrazol-1-yl)pyridine)](BF4)
  参考文献：
  名称：

  Ruthenium complexes supported by 2,6-bis(pyrazol-1-yl)pyridines

  摘要：

  The synthesis and characterization of a series of ruthenium(II) complexes containing the planar tridentate ligands 2,6-bis(pyrazol-1-yl)pyridine (BPP) or 2,6-bis(3,5-dimethylpyrazol-1-yl)pyridine (Me4BPP) are described. The reaction of BPP with RuCl2(PPh3)(3) yields both the cis (1a) and trans (1b) isomers of [RuCl(PPh3)(2)(BPP)]Cl. Complexes of the general formula transRuCl(2)(L)(Me4BPP) (L=PPh3, 2; C2H4, 3a; CO, 3b; MeCN, 3c) are also reported, and were prepared from either RuCl2(PPh3)(3) and Me4BPP (i.e. 2), Et3N reductions of RuCl3(Me4BPP) in the presence of L (i.e. 2 and 3b,c), or from [RuCl2(p-cymene)](2), Me4BPP and L (i.e. 3a). The neutral vinylidene complex cis-RuCl=(=C=CHPh)(Me4BPP) (4), was isolated from reactions of phenylacetylene with either 3a or mixtures of [RuCl2(p-cymene)](2) and Me4BPP, while the cationic allenylidene complex [RuCl(PPh3)(=C=C=CPh2)(Me4BPP)][BF4] (5), was prepared from 2, AgBF4 and 1,1-diphenyl-2-propyn-1-ol. Complexes 1-5 were characterized by multinuclear NMR and IR spectroscopy. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(02)01173-8
• 作为产物：
  描述：

  tris(triphenylphosphine)ruthenium(II) chloride 、 2,6-二(3,5-二甲基吡唑-1-基)吡啶 以 苯 为溶剂， 以38%的产率得到trans-[RuCl2(PPh3)(2,6-bis(3,5-dimethylpyrazol-1-yl)pyridine)]
  参考文献：
  名称：

  Ruthenium complexes supported by 2,6-bis(pyrazol-1-yl)pyridines

  摘要：

  The synthesis and characterization of a series of ruthenium(II) complexes containing the planar tridentate ligands 2,6-bis(pyrazol-1-yl)pyridine (BPP) or 2,6-bis(3,5-dimethylpyrazol-1-yl)pyridine (Me4BPP) are described. The reaction of BPP with RuCl2(PPh3)(3) yields both the cis (1a) and trans (1b) isomers of [RuCl(PPh3)(2)(BPP)]Cl. Complexes of the general formula transRuCl(2)(L)(Me4BPP) (L=PPh3, 2; C2H4, 3a; CO, 3b; MeCN, 3c) are also reported, and were prepared from either RuCl2(PPh3)(3) and Me4BPP (i.e. 2), Et3N reductions of RuCl3(Me4BPP) in the presence of L (i.e. 2 and 3b,c), or from [RuCl2(p-cymene)](2), Me4BPP and L (i.e. 3a). The neutral vinylidene complex cis-RuCl=(=C=CHPh)(Me4BPP) (4), was isolated from reactions of phenylacetylene with either 3a or mixtures of [RuCl2(p-cymene)](2) and Me4BPP, while the cationic allenylidene complex [RuCl(PPh3)(=C=C=CPh2)(Me4BPP)][BF4] (5), was prepared from 2, AgBF4 and 1,1-diphenyl-2-propyn-1-ol. Complexes 1-5 were characterized by multinuclear NMR and IR spectroscopy. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(02)01173-8

文献信息

• 2,6-Bis(3,5-dimethylpyrazol-1-yl)pyridine:  A Useful Pseudo-N₃ Ligand in Efficient Ruthenium(II)-Catalyzed Transfer Hydrogenation of Ketones
  作者：Deng、Yu、Dong、Wu

  DOI：10.1021/om050467o

  日期：2005.8.1

  Transfer hydrogenation of ketones was efficiently carried out with a ruthenium(II) complex bearing the ligand 2,6-bis(3,5-dimethylpyrazol-1-yl)pyridine (Me4BPPy), i.e., RuCl2(PPh3)(Me4BPPy), in 2-propanol at 82 °C. The single-crystal structure of the complex was first characterized by an X-ray crystallographic study, correcting the mistaken structural assignment of the complex in the literature. The

  使用带有配体2,6-双（3,5-二甲基吡唑-1-基）吡啶（Me 4 BPPy），即RuCl 2（PPh 3）（ Me 4 BPPy），在2-丙醇中于82°C加热。配合物的单晶结构首先通过X射线晶体学研究来表征，纠正了文献中配合物的错误结构分配。结果表明，Me 4 BPPy型新的配体家族可以作为伪N 3配体来构建过渡金属催化剂。
• Ruthenium complexes supported by 2,6-bis(pyrazol-1-yl)pyridines
  作者：Nicholas J Beach、Gregory J Spivak

  DOI：10.1016/s0020-1693(02)01173-8

  日期：2003.1

  The synthesis and characterization of a series of ruthenium(II) complexes containing the planar tridentate ligands 2,6-bis(pyrazol-1-yl)pyridine (BPP) or 2,6-bis(3,5-dimethylpyrazol-1-yl)pyridine (Me4BPP) are described. The reaction of BPP with RuCl2(PPh3)(3) yields both the cis (1a) and trans (1b) isomers of [RuCl(PPh3)(2)(BPP)]Cl. Complexes of the general formula transRuCl(2)(L)(Me4BPP) (L=PPh3, 2; C2H4, 3a; CO, 3b; MeCN, 3c) are also reported, and were prepared from either RuCl2(PPh3)(3) and Me4BPP (i.e. 2), Et3N reductions of RuCl3(Me4BPP) in the presence of L (i.e. 2 and 3b,c), or from [RuCl2(p-cymene)](2), Me4BPP and L (i.e. 3a). The neutral vinylidene complex cis-RuCl=(=C=CHPh)(Me4BPP) (4), was isolated from reactions of phenylacetylene with either 3a or mixtures of [RuCl2(p-cymene)](2) and Me4BPP, while the cationic allenylidene complex [RuCl(PPh3)(=C=C=CPh2)(Me4BPP)][BF4] (5), was prepared from 2, AgBF4 and 1,1-diphenyl-2-propyn-1-ol. Complexes 1-5 were characterized by multinuclear NMR and IR spectroscopy. (C) 2002 Elsevier Science B.V. All rights reserved.