2-[15-[4,5-Bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-4-tricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaen-2,5,13,16-tetraynylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole | 1155876-53-1

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 2-[15-[4,5-Bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-4-tricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaen-2,5,13,16-tetraynylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole
• 英文别名: 2-[15-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-4-tricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaen-2,5,13,16-tetraynylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole
• CAS: 1155876-53-1
• 化学式: C₃₂H₂₀S₈
• 分子量: 661.039
• InChiKey: RMFXRFVXBXHFOD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.8
• 重原子数：
  40
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  202
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  1,2-二碘苯 、 在 copper(l) iodide 、 四(三苯基膦)钯 、 三乙胺 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 以6 mg的产率得到2-[15-[4,5-Bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-4-tricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaen-2,5,13,16-tetraynylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole
  参考文献：
  名称：

  Planar Acetylene-Expanded TTFAQ Analogues

  摘要：

  Two planar acetylene-expanded TTFAQ analogues (8a and 8b) were synthesized through a one-pot, 4-fold Sonogashira coupling protocol. The structure and electronic properties of these compounds were investigated by single-crystal X-ray crystallography, UV-vis spectroscopy, and cyclic voltammetry.

  DOI：

  10.1021/ol900794j

文献信息

• Planar Acetylene-Expanded TTFAQ Analogues
  作者：Guang Chen、Louise Dawe、Li Wang、Yuming Zhao

  DOI：10.1021/ol900794j

  日期：2009.7.2

  Two planar acetylene-expanded TTFAQ analogues (8a and 8b) were synthesized through a one-pot, 4-fold Sonogashira coupling protocol. The structure and electronic properties of these compounds were investigated by single-crystal X-ray crystallography, UV-vis spectroscopy, and cyclic voltammetry.