4-((1E)-2-(4-octyl-5-((E)-2-(2-oxothieno[3,4-d]-1,3-dithiol-4-yl)vinyl)thiophen-2-yl)vinyl)thieno[3,4-d]-1,3-dithiol-2-one | 1196714-91-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: 4-((1E)-2-(4-octyl-5-((E)-2-(2-oxothieno[3,4-d]-1,3-dithiol-4-yl)vinyl)thiophen-2-yl)vinyl)thieno[3,4-d]-1,3-dithiol-2-one
• 英文别名: 4-[(E)-2-[4-octyl-5-[(E)-2-(2-oxothieno[3,4-d][1,3]dithiol-4-yl)ethenyl]thiophen-2-yl]ethenyl]thieno[3,4-d][1,3]dithiol-2-one
• CAS: 1196714-91-6
• 化学式: C₂₆H₂₄O₂S₇
• 分子量: 592.937
• InChiKey: WCSIMQPBPOKYDF-HULFFUFUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.4
• 重原子数：
  35
• 可旋转键数：
  11
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  220
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  3-octyl-2,5-thiophenedicarboxaldehyde 、 (4-methyl-thieno[3,4-d]-1,3-dithiol-2-one) triphenylphosphonium chloride 在 sodium ethanolate 作用下， 以 乙醇 、 氯仿 为溶剂， 以32%的产率得到4-((1E)-2-(4-octyl-5-((E)-2-(2-oxothieno[3,4-d]-1,3-dithiol-4-yl)vinyl)thiophen-2-yl)vinyl)thieno[3,4-d]-1,3-dithiol-2-one
  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.