1,1-W2Cp(η3-C5H7)(OCH2CF3)6 | 944405-64-5

• 英文名称: 1,1-W2Cp(η3-C5H7)(OCH2CF3)6
• CAS: 944405-64-5
• 化学式: C₂₂H₂₄F₁₈O₆W₂
• 分子量: 1094.1
• InChiKey: YMOIBAVRLALMNC-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

• 作为产物：
  描述：

  1,2-(η3-C5H5)2W2(NMe2)4 、 2,2,2-三氟乙醇 以 neat (no solvent) 为溶剂， 生成 1,1-W2Cp(η3-C5H7)(OCH2CF3)6 、
  参考文献：
  名称：

  Alcoholysis of gauche-1,2-(η3-Cp)2W2(NMe2)4: Structural evidence for WW bond cleavage and proton transfer to bound cyclopentadiene

  摘要：

  1,2-Cp2W2(NMe2)(4) undergoes W=W bond scission in the presence of excess aliphatic alcohols ROH where R = Me, Et, Pr-n giving yellow, crystalline Cp2WH2 and presumably W(OR)(6). In reactions with excess CF3CH2OH, two crystalline products are obtained from the pentane wash of the crude product. The first product is formulated as 1,1-W-2(eta(5)-Cp)(eta(3)-C5H7)(mu-OCH2CF3)(2)(OCH2CF3)(4), (W-W, 2.705(1) angstrom avg. for two independent molecules) wherein six equivalents of CF3CH2OH have reacted with the amide precursor. The unusual eta(3)-C5H7 ligand present in this compound arises from the transfer of two protons to one of the Cp rings. The second product is formulated as the complex salt [W(OCH2CF3)(6)] [H2NMe2][Cp2W(H)(x)(OCH2CF3)] wherein a H2NMe2 cation bridges the neutral W(OR)(6) moiety and the Cp2W(H)(x)(OCH2CF3) (x = 1 or 2) anion through hydrogen bonding. The formation of the alcoholysis products suggests the importance of oxidative addition in the mechanism of alcoholysis of ditungsten dimethylamides. (C) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2006.04.035