[Pt2(Me)(SMe2)(Ph)2(1,2,4,5-tetrakis(1-N-7-azaindolyl)benzene)][B(3,5-bis(trifluoromethyl)phenyl)4] | 676465-00-2

• 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: [Pt2(Me)(SMe2)(Ph)2(1,2,4,5-tetrakis(1-N-7-azaindolyl)benzene)][B(3,5-bis(trifluoromethyl)phenyl)4]
• 英文别名: benzene;carbanide;methylsulfanylmethane;platinum(2+);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;1-[2,4,5-tris(pyrrolo[2,3-b]pyridin-1-yl)phenyl]pyrrolo[2,3-b]pyridine
• CAS: 676465-00-2
• 化学式: C₃₂H₁₂BF₂₄*C₄₉H₄₁N₈Pt₂S
• 分子量: 2027.36
• InChiKey: TYCNZWSBYYLQGY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  22.65
• 重原子数：
  117
• 可旋转键数：
  8
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  96.6
• 氢给体数：
  0
• 氢受体数：
  33

反应信息

• 作为产物：
  描述：

  [Pt2(Me)4(1,2,4,5-tetrakis(1-N-7-azaindolyl)benzene)] 、 Brookhart's acid 、 二甲基硫 、 苯 以 苯 为溶剂， 以34%的产率得到[Pt2(Me)(SMe2)(Ph)2(1,2,4,5-tetrakis(1-N-7-azaindolyl)benzene)][B(3,5-bis(trifluoromethyl)phenyl)4]
  参考文献：
  名称：

  C−H Activation by a Diplatinum(II) Complex:  Isolation and Structures of [Pt₂(CH₃)(SMe₂)Ph₂(ttab)][BAr‘₄] and [Pt₂(H₂O)₂Ph₂(ttab)][BAr‘₄]₂ (ttab = 1,2,4,5-Tetrakis(1-N-7-azaindolyl)benzene)

  摘要：

  The dinuclear Pt(II) complex Pt-2(CH3)(4)(ttab) (1; ttab = 1,2,4,5-tetrakis(1-N-7-azaindolyl)benzene) has been found to activate multiple benzene molecules by cleaving a C-H bond in the presence of[H(Et2O)(2)][BAr'(4)] (Ar' = 3,5-bis(trifluoromethyl)phenyl). The unprecedented dinuclear Pt(H) product [Pt-2(CH3)(SMe2)Ph-2(ttab)][BAr'(4)] (2), which contains two phenyl groups on one Pt(H) center, has been isolated from the 1:1 reaction of 1 with [H(Et2O)(2)][BAr'(4)]. The novel dinuclear Pt(H) complex [Pt-2(H2O)(2)Ph-2(ttab)][BAr'(4)](2) (3) has been isolated from the 1:2 reaction of 1 with [H(Et2O)(2)][BAr'(4)] when reagent-grade solvents were used in the recrystallization process. The structures of 2 and 3 have been established by X-ray diffraction analyses.

  DOI：

  10.1021/om0341449