[(ruthenium)(hydride)(bis(1,2-diphenylphosphinoethane)](trifluoromethanesulfonate) | 356528-38-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: [(ruthenium)(hydride)(bis(1,2-diphenylphosphinoethane)](trifluoromethanesulfonate)
• 英文别名: RuH(bis(1,2-diphenylphosphino)ethane)2OTf；[RuH(dppe)2]OTf；RuH(dppe)2OTf；2-diphenylphosphanylethyl(diphenyl)phosphane;ruthenium(1+) monohydride;trifluoromethanesulfonate
• CAS: 356528-38-6；915234-66-1
• 化学式: CF₃O₃S*C₅₂H₄₉P₄Ru
• 分子量: 1048.0
• InChiKey: CXCVNLCVLVPOCN-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  10.29
• 重原子数：
  65.0
• 可旋转键数：
  8.0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  57.2
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  (Triphenylsilanyl)-methylidyne-phosphane 、 [(ruthenium)(hydride)(bis(1,2-diphenylphosphinoethane)](trifluoromethanesulfonate) 以 二氯甲烷 、 甲苯 为溶剂， 以84.5%的产率得到η1-[ruthenium(hydride)(bis(1,2-diphenylphosphinoethane))2((phenyl)3SiCP)](trifluoromethanesulfonate)
  参考文献：
  名称：

  制作真正的“ CP”配体。

  摘要：

  DOI：

  10.1002/anie.200602499
• 作为产物：
  描述：

  、 三氟甲磺酸三甲基硅酯 以 四氢呋喃 为溶剂， 生成 [(ruthenium)(hydride)(bis(1,2-diphenylphosphinoethane)](trifluoromethanesulfonate)
  参考文献：
  名称：

  双-二氟化钌，氢化钌-氟化物和氢化钌-氟化物配合物的合成，表征和反应性

  摘要：

  双氟化物络合物，反式-[Ru（depe）2 H（FHF ）]（1），反式-[Ru（dppe）2 H（FHF ）]（2），反式-[Ru（dppp）2 H（FHF ）] （3）和顺式-[Ru（PMe 3）4（FHF ）2 ]（4）（depe = Et 2 PCH 2 CH 2 PEt 2，dppe由相应的顺式-二氢化物配合物与NEt 3 ·3HF在THF中的反应合成 = Ph 2 PCH 2 CH 2 PPh 2，dppp = Ph 2 PCH 2 CH 2 CH 2 PPh 2）。低温的特征核磁共振谱的二氟化物配合物在约3-6处具有19 F共振。δ- 300代表近端的氟，大约为。 远端氟的δ- 165。酸性的质子在大约共振。δ13 .远端氟的J（HF ）值在300–400 Hz的范围内。氟化氢配体表现出约20的特征振动。2300厘米-1和大约 2430厘米-1在红外光谱。所有复合物表现出动态

  DOI：

  10.1039/b101007g

文献信息

• Synthesis, Characterization and Reactivity of a η ¹ ‐Methylphosphaalkyne Complex, [RuH(dppe) ₂ (η ¹ ‐P≡CMe)][CF ₃ SO ₃ ]
  作者：Cameron Jones、Christian Schulten、Andreas Stasch

  DOI：10.1002/ejic.200701330

  日期：2008.4

  AbstractThe synthesis of the first example of a complex in which methylphosphaalkyne solely η1‐coordinates a metal center, [RuH(dppe)2(η1‐P≡CMe)][CF3SO3] [dppe = 1,2‐bis(diphenylphosphanyl)ethane], is reported. Treatment of this compound with HBF4 (acting as a source of HF) has led to the reduction of the phosphaalkyne and the formation of a rare PF2Et complex, [RuH(dppe)2(η1‐PF2Et)][BF4]. Both complexes have been crystallographically characterized. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008)
• A Synthetic Cycle for the Ruthenium-Promoted Formation of 1<i>H</i>-Phosphindoles from Phosphaalkynes
  作者：Joseph G. Cordaro、Daniel Stein、Hansjörg Grützmacher

  DOI：10.1021/ja0651198

  日期：2006.11.1

  Beginning with inexpensive and commercially available starting materials, a rational synthesis for the new phosphaalkyne Ph3C-C P ( 1) is presented. Coordination of 1 to group 8 transition metal centers furnishes the eta(1)-complexes [ MH( dppe)(2)( Ph3CC P)] OTf, where M) Fe ( 3) or Ru ( 4) ( dppe) bis-1,2-diphenylphosphinoethane). Treatment of 3 or 4 with a strong acid cyclizes the coordinated phosphaalkyne and is the first example of an electrophilic aromatic substitution reaction in which the electrophile is a low coordinate phosphorus. With the aid of DFT calculations, we were able to gain a more thorough understanding of the energetics and mechanism of this new cyclization reaction. Thermolysis of the iron-3,3-diphenyl-3H-phosphindole adduct ( 6) in CH3CN results in quantitative formation of the free 3H-phosphindole ( 7). Alternatively, when ruthenium-3,3-diphenyl-3H-phosphindole adduct ( 5) is irradiated, a photochemical rearrangement occurs furnishing 2,3-diphenyl-1H-phosphindole ( 9). Mechanistic work is presented that provides an explanation for this transformation. Compounds 1, 3, 5, and 9 have been characterized by single X-ray diffraction studies. Finally, a synthetic cycle for the conversion of 1 to 1H-phosphindole 9 has been developed that recycles the ruthenium cation [ RuH( dppe)(2)](+).