[(ruthenium)(hydride)(bis(1,2-diphenylphosphinoethane)]BF4 | 915234-68-3

• 英文名称: [(ruthenium)(hydride)(bis(1,2-diphenylphosphinoethane)]BF4
• 英文别名: RuH(bis(1,2-diphenylphosphino)ethane)2BF4；[RuH(dppe)2]BF4；RuH(dppe)2BF4
• CAS: 915234-68-3
• 化学式: BF₄*C₅₂H₄₉P₄Ru
• 分子量: 985.731
• InChiKey: BFHIFPOZVPHOQS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  [(ruthenium)(hydride)(bis(1,2-diphenylphosphinoethane)]BF4 、 potassium trifluoromethansulfonate 以 四氢呋喃 为溶剂， 生成 [(ruthenium)(hydride)(bis(1,2-diphenylphosphinoethane)](trifluoromethanesulfonate)
  参考文献：
  名称：

  A Synthetic Cycle for the Ruthenium-Promoted Formation of 1H-Phosphindoles from Phosphaalkynes

  摘要：

  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)](+).

  DOI：

  10.1021/ja0651198
• 作为产物：
  描述：

  trans-[(bis(1,2-diphenylphosphanyl)ethane)2Ru(η2-H2)(H)](BF4) 以 neat (no solvent, solid phase) 为溶剂， 生成 [(ruthenium)(hydride)(bis(1,2-diphenylphosphinoethane)]BF4
  参考文献：
  名称：

  Two molecular hydrogen complexes: trans-[M(.eta.2-H2)(H)(PPh2CH2CH2PPh2)2]BF4 (M = Fe, Ru). The crystal structure determination of the iron complex

  摘要：

  DOI：

  10.1021/ja00305a071

文献信息

• Bautista, Maria T.; Cappellani, E. Paul; Drouin, Samantha D., Journal of the American Chemical Society, 1991, vol. 113, # 13, p. 4876 - 4887
  作者：Bautista, Maria T.、Cappellani, E. Paul、Drouin, Samantha D.、Morris, Robert H.、Schweitzer, Caroline T.、Sella, Andrea、Zubkowski, Jeffery

  DOI：——

  日期：——
• Making the True “CP” Ligand
  作者：Joseph G. Cordaro、Daniel Stein、Heinz Rüegger、Hansjörg Grützmacher

  DOI：10.1002/anie.200602499

  日期：2006.9.18