(η(5)-2,4-cyclopentadien-1-yl)(η(6)-methoxybenzene)ruthenium hexafluorophosphate | 174498-98-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (η(5)-2,4-cyclopentadien-1-yl)(η(6)-methoxybenzene)ruthenium hexafluorophosphate
• 英文别名: Ru(η5-C5H5)(η6-C6H5OCH3)(PF6)；anisole;cyclopenta-1,3-diene;ruthenium(2+);hexafluorophosphate
• CAS: 174498-98-7
• 化学式: C₁₂H₁₃ORu*F₆P
• 分子量: 419.269
• InChiKey: OUZJUFLLNVVMRJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.48
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  (η(5)-2,4-cyclopentadien-1-yl)(η(6)-chlorobenzene)ruthenium hexafluorophosphate 、 sodium methylate 以 甲醇 为溶剂， 以79%的产率得到(η(5)-2,4-cyclopentadien-1-yl)(η(6)-methoxybenzene)ruthenium hexafluorophosphate
  参考文献：
  名称：

  Towards the synthesis of amino[b,e][1,4]dioxin derivatives via cationic ruthenium complexes

  摘要：

  Double nucleophilic aromatic substitution reactions between N-substituted (eta(6)-1,2-dichlorobenzene)RuCp(+) salts and substituted 1,2-benzenediols have been carried out under mild conditions to prepare N-substituted (eta(6)-dibenzo[b,e][1,4]dioxin)ruthenium(II) complexes. The dibenzodioxin ligands were subsequently liberated by photolysis, with radiation from a sunlamp or from a medium pressure Hg lamp (300 nm).

  DOI：

  10.1016/0022-328x(95)05717-4

文献信息

• Arene Exchange in the Ruthenium–Naphthalene Complex [CpRu(C ₁₀ H ₈ )] ⁺
  作者：Dmitry S. Perekalin、Eduard E. Karslyan、Pavel V. Petrovskii、Alexandra O. Borissova、Konstantin A. Lyssenko、Alexander R. Kudinov

  DOI：10.1002/ejic.201100928

  日期：2012.3

  [B(3,5-(CF3)2C6H3)4]– < PF6– < BF4– < CF3SO3–. Acceptor or bulky substituents in the incoming arene slow down the exchange. Complexes with acceptor arenes C6H5COMe, C6H5COOH, and C6H4(COOH)2 were obtained by the exchange reaction in water. Complexes [CpRu(η6-cycloheptatriene)]+ and [CpRu(η6-cyclooctatetraene)]+ were obtained by irradiation of 1 with the corresponding cyclic polyenes. A similar reaction

  [CpRu(C10H8)]+ (1; Cp = 环戊二烯基配体) 中的萘配体在加热或可见光照射下被其他芳烃取代并产生复合物 [CpRu(芳烃)]+ [芳烃 = C6HnMe6–n, C6H5OH , C6H5OMe, C6H4(OMe)2, 茚, 2,2-对环烷] 产率 70-90%。反应速率随着溶剂的配位能力 CH2Cl2 < THF/ < Me2CO 和反离子 [B(3,5-(CF3)2C6H3)4]– < PF6– < BF4– < SO3– 而增加。传入芳烃中的受体或大取代基会减慢交换速度。通过在水中的交换反应获得与受体芳烃 C6H5COMe、C6H5COOH 和 (COOH)2 的配合物。配合物[CpRu(η6-环庚三烯)]+和[CpRu(η6-环辛四烯)]+通过用相应的环状多烯辐照1获得。与 α-水芹烯的类似反应伴随着脱氢反应生成 [CpRu(cymene)]+。阳离子