4-Oxo-4H-4λ⁴-dithieno[3,2-b;2',3'-e]thiopyran-8-one | 157368-13-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-Oxo-4H-4λ⁴-dithieno[3,2-b;2',3'-e]thiopyran-8-one
• CAS: 157368-13-3
• 化学式: C₉H₄O₂S₃
• 分子量: 240.328
• InChiKey: HWKKHQJUBAQOGK-UHFFFAOYSA-N

物化性质

• 沸点：
  487.8±33.0 °C(predicted)
• 密度：
  1.78±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

反应信息

• 作为反应物：
  描述：

  4-Oxo-4H-4λ⁴-dithieno[3,2-b;2',3'-e]thiopyran-8-one 在 三甲基氯硅烷 、 sodium iodide 作用下， 生成 8-[1,3]Dithiol-2-ylidene-8H-dithieno[3,2-b;2',3'-e]thiopyran
  参考文献：
  名称：

  2-(Thiopyran-4′-yliden)-1,3-dithioles fused with thiophene units: intramolecular S ⋯ S interaction affecting the redox properties and molecular geometries

  摘要：

  The title molecules (1) are strong electron donors like tetrathiafulvalene (TTF) but possess non-planar geometries with short intramolecular contacts between S atoms (av. 3.06 Å in 1b, X-ray); by contrast, their cation radicals are endowed with molecular planarity, and the shorter S ⋯ S contacts (av. 2.87 Å in 1b˙+, X-ray) result in the enhanced attractive interaction as well as much smaller Coulombic repulsion in 12+ than in TTF2+.

  DOI：

  10.1039/c39940001431
• 作为产物：
  描述：

  Dithieno[3,2-b;2',3'-e]thiopyran-8-one 在 过氧乙酸 作用下， 以32%的产率得到4-Oxo-4H-4λ⁴-dithieno[3,2-b;2',3'-e]thiopyran-8-one
  参考文献：
  名称：

  2-(Thiopyran-4′-yliden)-1,3-dithioles fused with thiophene units: intramolecular S ⋯ S interaction affecting the redox properties and molecular geometries

  摘要：

  The title molecules (1) are strong electron donors like tetrathiafulvalene (TTF) but possess non-planar geometries with short intramolecular contacts between S atoms (av. 3.06 Å in 1b, X-ray); by contrast, their cation radicals are endowed with molecular planarity, and the shorter S ⋯ S contacts (av. 2.87 Å in 1b˙+, X-ray) result in the enhanced attractive interaction as well as much smaller Coulombic repulsion in 12+ than in TTF2+.

  DOI：

  10.1039/c39940001431