η5-1-trifluoromethyl-2,3,4,5-tetramethylcyclopentadienyl-η6-benzene ruthenium hexafluorophosphate | 207593-82-6

• 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: η5-1-trifluoromethyl-2,3,4,5-tetramethylcyclopentadienyl-η6-benzene ruthenium hexafluorophosphate
• 英文别名: [Ru(η(5)-1,2,3,4-tetramethyl-5-(trifluoromethyl)cyclopentadienyl)(η(6)-benzene)]PF6；benzene;ruthenium(2+);1,2,3,4-tetramethyl-5-(trifluoromethyl)cyclopenta-1,3-diene;hexafluorophosphate
• CAS: 207593-82-6
• 化学式: C₁₆H₁₈F₃Ru*F₆P
• 分子量: 513.348
• InChiKey: NAEDFYWPIWYCGI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：

  η5-1-trifluoromethyl-2,3,4,5-tetramethylcyclopentadienyl-η6-benzene ruthenium hexafluorophosphate 在 sodium amalgam 作用下， 以 四氢呋喃 为溶剂， 以69%的产率得到Ru2(η(5)-1,2,3,4-tetramethyl-5-(trifluoromethyl)cyclopentadienyl)2(μ-η(5):η(5)-C6H6C6H6)
  参考文献：
  名称：

  Synthesis and reduction of trifluoromethyl-substituted arenecyclopentadienylruthenium sandwiches [Ru(η5-C5Me4CF3)(η6-C6R6)]+ (R=H, Me) and [Ru(η5-C5Me5)(η6-C6H5CF3)]+

  摘要：

  Dimer [Ru-2(eta(5)-C5Me4CF3)(2)Cl-2(mu-Cl)(2)] (1) has been prepared by reaction of RuCl3 .(H2O)(3) with 1,2,3,4-tetramethyl-5-(trifluoromethyl)cyclopentadiene in ethanol under reflux. Cationic arenecyclopentadienyl complexes [Ru(eta(5)-C5Me4CF3)(eta(6)-arene)]+PF6- (2(+), arene =C6H6; 3(+) arene=C6Me6) and [Ru(eta(5)-C5Me5)(eta(6)-C6H5CF3)]+BF4- (4(+)) were obtained by refluxing [Ru-2(eta(5)- C5Me4CF3)(2)Cl-2(mu-Cl)(2)] (1) or [Ru-2(eta(5)-C5Me5)(2)Cl-2(mu-Cl)(2)] with corresponding arenes in alcohol. The redox properties of 2(+)-4(+) were studied by cyclic voltammetry (CV). All three complexes 2(+)-4(+) are reduced irreversibly in one-electron process. The values of reduction peak potentials for 2(+)-3(+) are less negative than those found for eta(5)-C5Me5 analogues. The reduction of 2(+) and 3(+) with sodium amalgam in tetrahydrofuran led to the formation of dimers [Ru-2(eta(5)-C5Me4CF3),(2)(mu-eta(5):eta(5)-C6H6C6H6)] (5) and [Ru-2(eta(5)-C5Me4CF3)(2)( mu-eta(5):eta(5)-C6Me6C6Me6)] (6) respectively. The reduction of 4(+) gave a non-identifiable mixture of neutral products. (C) 1998 Elsevier Science S.A.

  DOI：

  10.1016/s0022-328x(97)00393-8
• 作为产物：
  描述：

  ammonium hexafluorophosphate 、 η5-1-trifluoromethyl-2,3,4,5-tetramethylcyclopentadienyl-η6-benzene ruthenium chloride*1.25(water) 以 水 为溶剂， 以96%的产率得到η5-1-trifluoromethyl-2,3,4,5-tetramethylcyclopentadienyl-η6-benzene ruthenium hexafluorophosphate
  参考文献：
  名称：

  A Facile Route to 1-Trifluoromethyl-2,3,4,5-tetramethylcyclopentadienyl Ruthenium Half- and Mixed-Sandwich Compounds

  摘要：

  A series of half and mixed-sandwich (Cpdouble dagger = 1-trifluoromethyl-2,3,4,5-tetramethylcyclopentadienide) ruthenium compounds have been synthesized from a new Cpdouble daggerRu synthon, [Cpdouble daggerRu(NCCH3)(3)](PF6). [Cpdouble daggerRu(NCCH3)(3)](PF6) is efficiently generated by photolysis of [Cpdouble daggerRuBz](PF6) in acetonitrile with a quantum yield of approximately 0.34. The methods described here should be useful for the synthesis of other compounds that contain the Cpdouble daggerRu group.

  DOI：

  10.1021/om010863g