[RuH(CO)(MeImCOO)(PPh₃)₂]*CH₃OH | 1415819-11-2

• 英文名称: [RuH(CO)(MeImCOO)(PPh₃)₂]*CH₃OH
• 英文别名: [RuH(CO)(1-methyl-1H-imidazole-2-carboxylate )(PPh3)2]*CH3OH
• CAS: 1415819-11-2
• 化学式: CH₄O*C₄₂H₃₆N₂O₃P₂Ru
• 分子量: 811.819
• InChiKey: JFNROGJXVFKNFM-UHFFFAOYSA-M

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：

  甲醇 、 [RuHCl(CO)(PPh₃)₃] 、 1-甲基-1H-咪唑-2-羧酸 反应 4.0h， 以52%的产率得到[RuH(CO)(MeImCOO)(PPh₃)₂]*CH₃OH
  参考文献：
  名称：

  Synthesis, characterizations and catalytic applications of hydridecarbonyl ruthenium(II) complexes with imidazole carboxylic acid derivative ligands

  摘要：

  The hydridecarbonyl ruthenium(II) [RuH(CO)(MeImCOO)(PPh3)(2)]center dot CH3OH 1 and [RuH(CO)(BImCOO)(PPh3)(2)] 2 complexes were synthesized and characterized by IR, H-1, P-31 NMR, UV-Vis spectroscopy and X-ray crystallography. The experimental studies were completed by quantum chemical calculations which were used to identify the nature of the interactions between the ligands and the central ion and the orbital compositions in the frontier electronic structures. Based on a molecular orbital scheme, the calculated results allowed the interpretation of the UV-Vis spectra obtained at an experimental level. The luminescence properties of the complexes were determined. The catalytic activity for both of the complexes was tested in the reaction of the double bond migration in O-allyl systems. Complex 1 was significantly more active than complex 2, because of the longer Ru-H bond distance in complex 1 in comparison with complex 2. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.09.051
• 作为试剂：
  描述：

  烯丙基苯基醚 在 [RuH(CO)(MeImCOO)(PPh₃)₂]*CH₃OH 作用下， 以 neat (no solvent) 为溶剂， 反应 24.0h， 以24%的产率得到
  参考文献：
  名称：

  Synthesis, characterizations and catalytic applications of hydridecarbonyl ruthenium(II) complexes with imidazole carboxylic acid derivative ligands

  摘要：

  The hydridecarbonyl ruthenium(II) [RuH(CO)(MeImCOO)(PPh3)(2)]center dot CH3OH 1 and [RuH(CO)(BImCOO)(PPh3)(2)] 2 complexes were synthesized and characterized by IR, H-1, P-31 NMR, UV-Vis spectroscopy and X-ray crystallography. The experimental studies were completed by quantum chemical calculations which were used to identify the nature of the interactions between the ligands and the central ion and the orbital compositions in the frontier electronic structures. Based on a molecular orbital scheme, the calculated results allowed the interpretation of the UV-Vis spectra obtained at an experimental level. The luminescence properties of the complexes were determined. The catalytic activity for both of the complexes was tested in the reaction of the double bond migration in O-allyl systems. Complex 1 was significantly more active than complex 2, because of the longer Ru-H bond distance in complex 1 in comparison with complex 2. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.09.051