4,6-bis((E)-2-(5-bromo-3,4-dibutylthiophen-2-yl)vinyl)thieno[3,4-d]-1,3-dithiol-2-one | 1196715-04-4

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 芳基卤化物
• 英文名称: 4,6-bis((E)-2-(5-bromo-3,4-dibutylthiophen-2-yl)vinyl)thieno[3,4-d]-1,3-dithiol-2-one
• 英文别名: 4,6-bis[(E)-2-(5-bromo-3,4-dibutylthiophen-2-yl)ethenyl]thieno[3,4-d][1,3]dithiol-2-one
• CAS: 1196715-04-4
• 化学式: C₃₃H₄₀Br₂OS₅
• 分子量: 772.818
• InChiKey: UXKAAUKCIBUKSQ-XPWSMXQVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.1
• 重原子数：
  41
• 可旋转键数：
  16
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  152
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3,4-dibutyl-5-bromothiophene-2-carbaldehyde 、 1,1'-[(4,6-thieno[3,4-d]-1,3-dithiol-2-one-diyl)bismethylene]bis[triphenylphoshonium chloride] 在 potassium tert-butylate 、 溶剂黄146 作用下， 以 四氢呋喃 、 氯仿 为溶剂， 以38%的产率得到4,6-bis((E)-2-(5-bromo-3,4-dibutylthiophen-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.