Ru2(μ-O2CH)2(CO)4(PPh3)2 | 228268-89-1

• 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: Ru2(μ-O2CH)2(CO)4(PPh3)2
• 英文别名: [Ru₂(HCO₂)₂(CO)₄(triphenylphosphine)₂]；[Ru₂(HCO₂)₂(CO)₄(PPh₃)₂]；Ru2(μ-O2CH)(CO)4(triphenylphosphine)2；carbon monoxide;ruthenium(1+);triphenylphosphane;diformate
• CAS: 228268-89-1；151516-73-3
• 化学式: C₄₂H₃₂O₈P₂Ru₂
• 分子量: 928.799
• InChiKey: WQXXFAVFGUOUHK-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  3.47
• 重原子数：
  54
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  84.3
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  Ru2(μ-O2CH)2(CO)4(PPh3)2 、 正丁醇 以 甲苯 为溶剂， 以30%的产率得到Ru2(CO)4(μ²-η²-O2CC3H7)2(triphenylphosphine)2
  参考文献：
  名称：

  双核羧酸钌（I）配合物与醇的反应。伯醇意外氧化为羧基配体

  摘要：

  双核钌（I）配合物[Ru 2（HCO 2）2（CO）4（PPh 3）2 ]与伯醇R'CH 2 OH在回流的甲苯中反应，生成[Ru 2（R'CO 2）2（CO）4（PPh 3）2 ]化合物。其他羧酸盐桥接配合物与醇R''OH反应生成非常不稳定的醇盐化合物[Ru 2（R''O ）2（CO）4（PPh 3）2 ]。

  DOI：

  10.1016/s0022-328x(98)01131-0
• 作为产物：
  描述：

  [Ru(HCO₂)₂(CO)₂(triphenylphosphine)₂] 以 正己烷 、 甲苯 为溶剂， 生成 Ru2(μ-O2CH)2(CO)4(PPh3)2 、 [Ru(CO)3(triphenylphosphine)2]
  参考文献：
  名称：

  Formic Acid As a Hydrogen Storage Medium: Ruthenium-Catalyzed Generation of Hydrogen from Formic Acid in Emulsions

  摘要：

  Formic acid is decomposed to H-2 and CO2 in the presence of RuCl3 and triphenylphosphines in an emulsion. In situ formed ruthenium carbonyls, such as [Ru(HCO2)(2)(CO)(2)(PPh3)(2)] (1), [Ru(CO)(3)(PPh3)(2)] (2), and [Ru-2(HCO2)(2)(CO)(4)(PPh3)(2)] (3), and a large cluster, involving a Ru-12 core, were identified and structurally characterized from the reaction mixtures. The catalytic activity of the mono and binuclear complexes was also investigated and it was found that [Ru-2(HCO2)(2)(CO)(4)(PPh3)(2)] (3) shows high stability even at elevated temperatures and pressures and its activity is 1 order of magnitude lower than those measured for the mononuclear complexes. It was also attempted to use [Ru-(HCO2)(2)(CO)(2)(PPh3)(2)] (1) as a catalyst for the hydrogenation of CO2 to formic acid under neutral conditions. Although the reduction of CO2 did not take place, the conversion of [Ru(HCO2)(2)(CO)(2)(PPh3)(2)] (1) to an unexpected carbonate, [Ru(CO3)(CO)(2)(PPh3)(2)]center dot H2O was observed.

  DOI：

  10.1021/cs4007974
• 作为试剂：
  描述：

  1-Ethynyl-2-butenyl alcohol 、 2,2-二苯基乙酸 在 Ru2(μ-O2CH)2(CO)4(PPh3)2 作用下， 以 甲苯 为溶剂， 反应 15.0h， 以61%的产率得到2-oxohex-4-en-3-yl diphenylacetate
  参考文献：
  名称：

  Stereoselective synthesis of β-ketoesters from prop-2-yn-1-ols

  摘要：

  The activation of allylic prop-2-yn-1-ols by the [Ru(mu-O2CH)(CO)(2)(PPh3)](2) catalyst in the presence of carboxylic acids leads to unsaturated beta-ketoesters in one step. The utilization of optically active prop-2-yn-1-ols provides a new stereoselective access to optically active beta-ketoesters with retention of configuration at the propargylic carbon. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)00605-4

文献信息

• Insights into Hydrogen Generation from Formic Acid Using Ruthenium Complexes
  作者：David J. Morris、Guy J. Clarkson、Martin Wills

  DOI：10.1021/om900099u

  日期：2009.7.27

  a mixture of hydrogen and carbon dioxide may be catalyzed by a number of Ru(III) and Ru(II) complexes with high efficiency at ca. 120 °C. Evidence that suggests that the precatalyst may in each case be a common ruthenium dimer has been obtained through 1H NMR and X-ray crystallographic studies of the complexes formed in situ and of analysis of the gases generated in the reaction using FTIR and gas

  HCO 2 H / Et 3 N共沸物分解为氢气和二氧化碳的混合物可以通过多种高效的Ru（III）和Ru（II）配合物催化，催化反应的效率约为200 ℃。120℃。通过1 H NMR和X射线晶体学研究原位形成的配合物以及使用FTIR和气相色谱法分析反应中产生的气体，已获得证据表明该预催化剂在每种情况下可能是常见的钌二聚体。。
• Synthesis of Thiolate-Bridged Ruthenium(I) Complexes. The Crystal Structure of [Ru2(.mu.-S2(CH2)3)(CO)4(PPh3)2]
  作者：Josep Soler、Josep Ros、M. Rosa Carrasco、Aurora Ruiz、Angel Alvarez-Larena、Joan F. Piniella

  DOI：10.1021/ic00128a038

  日期：1995.11

  A new general method of preparation of dinuclear thiolate-bridged ruthenium(I) complexes is reported. Compounds of the type RU(2)(CO)(4)(mu(2)-S-2(CH2)(n))(PPh(3))(2) (n = 2 and 3) (I) and Ru-2(CO)(4)(mu-SR()2)(PPh(3))(2) (II) were formed by reacting RU(2)(CO)(4)(mu-O2CH)(2)(PPh(3))(2) with an excess of dithiol or thiol in good yields, Different structural isomers of Ru-2(CO)(4)(mu-SR)(2)(PPh(3))(2) (II) thiolate complexes were found which were separated by chromatography on a silica column. The X-ray structure of the compound RU(2)(CO)(4)(mu-S-2(CH2)(3))(PPh(3))(2) shows that the dithiolate ligand bridges symmetrically two Ru(CO)(2)(PPh(3))(2) fragments. The short Ru-Ru distance agrees with a metal-metal bond and the PPh(3) ligands are nearly trans to the Ru-Ru bond.