4,5-(1,4-dimethoxy-2,3-phenylenedithio)-1,3-dithiole-2-one | 259813-16-6

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 4,5-(1,4-dimethoxy-2,3-phenylenedithio)-1,3-dithiole-2-one
• 英文别名: 5,8-Dimethoxy-[1,3]dithiolo[4,5-b][1,4]benzodithiin-2-one
• CAS: 259813-16-6
• 化学式: C₁₁H₈O₃S₄
• 分子量: 316.447
• InChiKey: IWVBQSJKKGPWTC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  137
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  4,5-(1,4-dimethoxy-2,3-phenylenedithio)-1,3-dithiole-2-one 在 三异丙基亚磷酸酯 、 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 反应 27.0h， 生成 4,5-dimethylthio-4',5'-(1,4-dihydroxy-2,3-phenylenedithio)tetrathiafulvalene
  参考文献：
  名称：

  Synthesis and Electrochemical Studies of Novel Electron Donors—BEDT-TTF Fused withp-Dimethoxybenzene and Hydroquinone

  摘要：

  Novel electron donors - BEDT-TTF fused with p-dimethoxybenzene and hydroquinone were synthesized and characterized with elemental analysis, IR, H-1-NMR and MS spectra. Their redox potential were determined with cyclic voltammetry, and compared with those of BEDT-TTF.

  DOI：

  10.1080/00397910008087095
• 作为产物：
  描述：

  4,5-(1,4-dimethoxy-2,3-phenylenedithio)-1,3-dithiole-2-thione 在 mercury(II) diacetate 作用下， 以 氯仿 为溶剂， 反应 1.0h， 以90%的产率得到4,5-(1,4-dimethoxy-2,3-phenylenedithio)-1,3-dithiole-2-one
  参考文献：
  名称：

  Synthesis and Electrochemical Studies of Novel Electron Donors—BEDT-TTF Fused withp-Dimethoxybenzene and Hydroquinone

  摘要：

  Novel electron donors - BEDT-TTF fused with p-dimethoxybenzene and hydroquinone were synthesized and characterized with elemental analysis, IR, H-1-NMR and MS spectra. Their redox potential were determined with cyclic voltammetry, and compared with those of BEDT-TTF.

  DOI：

  10.1080/00397910008087095

文献信息

• Synthesis and Electrochemical Studies of Novel Electron Donors—BEDT-TTF Fused with<i>p</i>-Dimethoxybenzene and Hydroquinone
  作者：Wei Xu、Deqing Zhang、Hongxiang Li、Louzhen Fan、Daoben Zhu

  DOI：10.1080/00397910008087095

  日期：2000.3

  Novel electron donors - BEDT-TTF fused with p-dimethoxybenzene and hydroquinone were synthesized and characterized with elemental analysis, IR, H-1-NMR and MS spectra. Their redox potential were determined with cyclic voltammetry, and compared with those of BEDT-TTF.