2-(4,6-bis((E)-2-(4-octylthiophen-2-yl)vinyl)thieno[3,4-d]-1,3-dithiol-2-ylidene)-4,6-bis((E)-2-(4-octylthiophen-2-yl)vinyl)thieno[3,4-d]-1,3-dithiole | 1196715-07-7

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-(4,6-bis((E)-2-(4-octylthiophen-2-yl)vinyl)thieno[3,4-d]-1,3-dithiol-2-ylidene)-4,6-bis((E)-2-(4-octylthiophen-2-yl)vinyl)thieno[3,4-d]-1,3-dithiole
• 英文别名: 2-[4,6-bis[(E)-2-(4-octylthiophen-2-yl)ethenyl]thieno[3,4-d][1,3]dithiol-2-ylidene]-4,6-bis[(E)-2-(4-octylthiophen-2-yl)ethenyl]thieno[3,4-d][1,3]dithiole
• CAS: 1196715-07-7
• 化学式: C₆₆H₈₄S₁₀
• 分子量: 1198.05
• InChiKey: KLBYETKPUWQNKC-DXXRKCAZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  29
• 重原子数：
  76
• 可旋转键数：
  36
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  271
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  4,6-bis((E)-2-(4-octylthiophen-2-yl)vinyl)thieno[3,4-d]-1,3-dithiol-2-one 在 亚磷酸三乙酯 作用下， 反应 8.0h， 以42%的产率得到2-(4,6-bis((E)-2-(4-octylthiophen-2-yl)vinyl)thieno[3,4-d]-1,3-dithiol-2-ylidene)-4,6-bis((E)-2-(4-octylthiophen-2-yl)vinyl)thieno[3,4-d]-1,3-dithiole
  参考文献：
  名称：

  Synthesis of Trithienylenevinylenes Bearing Dithiocarbonate Groups and Their Dithiophene−Tetrathiafulvalene Derivatives

  摘要：

  A series of conjugated trithienylenevinylene compounds bearing dithiocarbonate groups were prepared by Wittig reactions. Dithiophene-tetrithiafulvalene (DT-TTF) derivatives can be readily prepared through trialkylphosphite-mediated coupling reactions of these trithienylenevinylene materials. All compounds were characterized by NMR, FT-IR, UV-vis, and mass spectroscopy.

  DOI：

  10.1021/jo901574v

文献信息

• Synthesis of Trithienylenevinylenes Bearing Dithiocarbonate Groups and Their Dithiophene−Tetrathiafulvalene Derivatives
  作者：Xin Chen、Norma R. de Tacconi、Ronald L. Elsenbaumer

  DOI：10.1021/jo901574v

  日期：2009.12.4

  A series of conjugated trithienylenevinylene compounds bearing dithiocarbonate groups were prepared by Wittig reactions. Dithiophene-tetrithiafulvalene (DT-TTF) derivatives can be readily prepared through trialkylphosphite-mediated coupling reactions of these trithienylenevinylene materials. All compounds were characterized by NMR, FT-IR, UV-vis, and mass spectroscopy.