[CpRu(NCMe)₃]Tf₂N | 1417392-94-9

• 英文名称: [CpRu(NCMe)₃]Tf₂N
• CAS: 1417392-94-9
• 化学式: C₂F₆NO₄S₂*C₁₁H₁₄N₃Ru
• 分子量: 569.471
• InChiKey: PFTCBUPIDYFMAI-UHFFFAOYSA-N

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

• 作为反应物：
  描述：

  2-甲氧基茴香硫醚 、 [CpRu(NCMe)₃]Tf₂N 以 乙腈 为溶剂， 反应 6.0h， 以52%的产率得到[CpRu{η⁶-1-methoxy-2-(methylthio)benzene}]Tf₂N
  参考文献：
  名称：

  Preparation and Properties of Cyclopentadienyl Ruthenocenium Complexes with 1,2-Disubstituted Benzene Ligands: Competition between Chelate Coordination and Sandwich Coordination

  摘要：

  The reactions of [CpRu(NCMe)(3)](+) and 1,2-disubstituted benzene ligands (L) bearing donor substituents were examined to investigate the consequence of competing coordination modes. 1,2-C6H4(OMe)(2) and 1,2-C6H4(SMe)(OMe) produce [CpRu(eta(6)-L)](+)-type sandwich complexes with a eta(6) coordination mode, whereas 1,2-C6H4(SMe)(2) forms the chelate complex [CpRu(kappa(2)-L)(NCMe)](+), due to the coordination ability of the donor atoms. 1,2-C6H4(NMe2)(2) and 1,2-C6H4(SMe)(NMe2) produce the sandwich complexes or the chelate complexes ([CpRu(kappa(2)-L)(NCMe)(n)](+); n = 0 or 1) depending on the reaction conditions. The chelate complexes are the kinetic products and are thermally transformed into the sandwich complexes in solution. The hexafluorophosphate (PF6) and bis-(trifluoromethylsulfonyl)amide (Tf2N) salts were isolated, and their thermal properties were investigated. The Tf2N salts of the sandwich complexes are room-temperature ionic liquids. The molecular structures were determined crystallographically.

  DOI：

  10.1021/om301073z
• 作为产物：
  描述：

  [CpRu(C₆H₆)]Tf₂N 、 乙腈 反应 8.0h， 生成 [CpRu(NCMe)₃]Tf₂N
  参考文献：
  名称：

  Preparation and Properties of Cyclopentadienyl Ruthenocenium Complexes with 1,2-Disubstituted Benzene Ligands: Competition between Chelate Coordination and Sandwich Coordination

  摘要：

  The reactions of [CpRu(NCMe)(3)](+) and 1,2-disubstituted benzene ligands (L) bearing donor substituents were examined to investigate the consequence of competing coordination modes. 1,2-C6H4(OMe)(2) and 1,2-C6H4(SMe)(OMe) produce [CpRu(eta(6)-L)](+)-type sandwich complexes with a eta(6) coordination mode, whereas 1,2-C6H4(SMe)(2) forms the chelate complex [CpRu(kappa(2)-L)(NCMe)](+), due to the coordination ability of the donor atoms. 1,2-C6H4(NMe2)(2) and 1,2-C6H4(SMe)(NMe2) produce the sandwich complexes or the chelate complexes ([CpRu(kappa(2)-L)(NCMe)(n)](+); n = 0 or 1) depending on the reaction conditions. The chelate complexes are the kinetic products and are thermally transformed into the sandwich complexes in solution. The hexafluorophosphate (PF6) and bis-(trifluoromethylsulfonyl)amide (Tf2N) salts were isolated, and their thermal properties were investigated. The Tf2N salts of the sandwich complexes are room-temperature ionic liquids. The molecular structures were determined crystallographically.

  DOI：

  10.1021/om301073z