4,8-Dimethoxy-2,6-bis(2,3,4,5,6-pentafluorophenyl)thieno[2,3-f][1]benzothiole | 1056457-33-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: 4,8-Dimethoxy-2,6-bis(2,3,4,5,6-pentafluorophenyl)thieno[2,3-f][1]benzothiole
• 英文别名: 4,8-dimethoxy-2,6-bis(2,3,4,5,6-pentafluorophenyl)thieno[2,3-f][1]benzothiole
• CAS: 1056457-33-0
• 化学式: C₂₄H₈F₁₀O₂S₂
• 分子量: 582.442
• InChiKey: SPBXULUEGMMWCT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.2
• 重原子数：
  38
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  74.9
• 氢给体数：
  0
• 氢受体数：
  14

反应信息

• 作为产物：
  描述：

  六氟苯 、 4,8-Dimethoxybenzo<1,2-b:4,5-b'>dithiophene 在 正丁基锂 、 四甲基乙二胺 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 以47%的产率得到4,8-Dimethoxy-2,6-bis(2,3,4,5,6-pentafluorophenyl)thieno[2,3-f][1]benzothiole
  参考文献：
  名称：

  Benzodichalcogenophenes with Perfluoroarene Termini

  摘要：

  Benzodichalcogenophenes are functionalized at their termini via SNAr reactions of their bismetalates with perfluoroarenes. The identities of X, Y, and W are varied to study the effects on LUMO energy levels and crystallization motif. X-ray crystallography reveals that nearly all new derivatives crystallize with coplanar ring systems within slipped 1D or 2D pi-stacks.

  DOI：

  10.1021/ol801569m

文献信息

• Benzodichalcogenophenes with Perfluoroarene Termini
  作者：Yongfeng Wang、Sean R. Parkin、Mark D Watson

  DOI：10.1021/ol801569m

  日期：2008.10.16

  Benzodichalcogenophenes are functionalized at their termini via SNAr reactions of their bismetalates with perfluoroarenes. The identities of X, Y, and W are varied to study the effects on LUMO energy levels and crystallization motif. X-ray crystallography reveals that nearly all new derivatives crystallize with coplanar ring systems within slipped 1D or 2D pi-stacks.