4,5:4',5'-bis(ethylenediseleno)-2,2'-ethanediylidenebis(1,3-dithiole) | 138518-84-0

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 4,5:4',5'-bis(ethylenediseleno)-2,2'-ethanediylidenebis(1,3-dithiole)
• 英文别名: 2-[2-(5,6-dihydro-[1,4]diselenino[2,3-d][1,3]dithiol-2-ylidene)ethylidene]-5,6-dihydro-[1,4]diselenino[2,3-d][1,3]dithiole
• CAS: 138518-84-0
• 化学式: C₁₂H₁₀S₄Se₄
• 分子量: 598.315
• InChiKey: KYNWSAVVRFSKQZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  101
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  在 正丁基锂 、 三乙胺 作用下， 以 水 、 乙腈 为溶剂， 反应 16.5h， 生成 4,5:4',5'-bis(ethylenediseleno)-2,2'-ethanediylidenebis(1,3-dithiole)
  参考文献：
  名称：

  New vinylogous tetrathiafulvalene .pi.-electron donors with peripheral alkylseleno substitution

  摘要：

  Efficient syntheses are described for five new vinylogous pi-electron donors, viz. 5, 6, and 8-10, which are related to bis(ethylenediseleno)tetrathiafulvalene (3): symmetrical and unsymmetrical systems, containing mixed alkylseleno and alkylthio groups, have been obtained. The solution electrochemical redox properties, studied by cyclic voltammetry, establish that these molecules undergo two, single-electron, oxidations at low potentials. The single-crystal X-ray structure of 4,5-bis(methylseleno)-4',5'-bis(methylthio)-2,2'-ethanediylidene(1,3-dithiole) (6) is reported. Semiconducting complexes of the new donors with tetracyano-p-quinodimethane have been obtained.

  DOI：

  10.1021/jo00032a018