(3-(4,5-bis(methylthio)-1,3-dithiol-2-ylidene)penta-1,4-diyne-1,5-diyl)bis(trimethylsilane) | 1155876-51-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二硫醇
• 英文名称: (3-(4,5-bis(methylthio)-1,3-dithiol-2-ylidene)penta-1,4-diyne-1,5-diyl)bis(trimethylsilane)
• 英文别名: [3-[4,5-Bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane；[3-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane
• CAS: 1155876-51-9
• 化学式: C₁₆H₂₄S₄Si₂
• 分子量: 400.802
• InChiKey: NABDRXOVEHKUHC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.29
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  101
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (3-(4,5-bis(methylthio)-1,3-dithiol-2-ylidene)penta-1,4-diyne-1,5-diyl)bis(trimethylsilane) 在 甲醇 、 potassium carbonate 作用下， 以 四氢呋喃 为溶剂， 生成
  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
• 作为产物：
  描述：

  1,5-双(三甲硅烷基)五-1,4-二炔-3-酮 、 dimethyl 4,5-bis(methylthio)-1,3-dithiole phosphonate ester 在 叔丁基锂 作用下， 以 四氢呋喃 为溶剂， 反应 0.25h， 以50%的产率得到(3-(4,5-bis(methylthio)-1,3-dithiol-2-ylidene)penta-1,4-diyne-1,5-diyl)bis(trimethylsilane)
  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.