4,5-Dihexyl-1,3-dithiole 1-oxide | 159435-38-8

• 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: 4,5-Dihexyl-1,3-dithiole 1-oxide
• CAS: 159435-38-8
• 化学式: C₁₅H₂₈OS₂
• 分子量: 288.519
• InChiKey: GRRVZTUAYOTUHU-UHFFFAOYSA-N

物化性质

• 沸点：
  433.5±38.0 °C(predicted)
• 密度：
  1.05±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  18
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  61.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  四氯吡嗪 、 4,5-Dihexyl-1,3-dithiole 1-oxide 生成 2,6-Bis(4,5-dihexyl-1,3-dithiole-2-ylidene)bis-1,3-dithiolo<4,5-b:4',5'-e>pyrazine
  参考文献：
  名称：

  Pyrazine-Fused Bis(tetrathiafulvalenes)

  摘要：

  The TTF-like bidentate sulfur nucleophiles 13a,b have been prepared from the corresponding 4,5-dialkyl-1,3-dithiole S-oxides 11a,b, obtained by the oxidation of the parent 1,3-dithioles 10a,b. The aromatic nucleophilic substitutions of tetrachloropyrazine by these nucleophiles 13a,b yield, in a single step, the unsymmetrically substituted pyrazino-TTF 8 or the pyrazine-fused bis-TTF 9a,b depending on the stoeichiometries of the reactions. The electrochemical properties of these new donors, obtained by cyclic voltammetry, are also reported.

  DOI：

  10.1021/jo00105a018
• 作为产物：
  描述：

  4,5-Dihexyl-1,3-dithiole 在 双氧水 作用下， 以 溶剂黄146 为溶剂， 以60%的产率得到4,5-Dihexyl-1,3-dithiole 1-oxide
  参考文献：
  名称：

  Pyrazine-Fused Bis(tetrathiafulvalenes)

  摘要：

  The TTF-like bidentate sulfur nucleophiles 13a,b have been prepared from the corresponding 4,5-dialkyl-1,3-dithiole S-oxides 11a,b, obtained by the oxidation of the parent 1,3-dithioles 10a,b. The aromatic nucleophilic substitutions of tetrachloropyrazine by these nucleophiles 13a,b yield, in a single step, the unsymmetrically substituted pyrazino-TTF 8 or the pyrazine-fused bis-TTF 9a,b depending on the stoeichiometries of the reactions. The electrochemical properties of these new donors, obtained by cyclic voltammetry, are also reported.

  DOI：

  10.1021/jo00105a018