2-[2,3,4-Tris(1,3-benzodithiol-2-ylidene)-5-[5-[5-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-[1,3]dithiolo[4,5-d][1,3]dithiol-2-ylidene]-[1,3]dithiolo[4,5-d][1,3]dithiol-2-ylidene]cyclopentylidene]-1,3-benzodithiole | 1447823-46-2

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-[2,3,4-Tris(1,3-benzodithiol-2-ylidene)-5-[5-[5-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-[1,3]dithiolo[4,5-d][1,3]dithiol-2-ylidene]-[1,3]dithiolo[4,5-d][1,3]dithiol-2-ylidene]cyclopentylidene]-1,3-benzodithiole
• CAS: 1447823-46-2
• 化学式: C₄₆H₂₂S₂₀
• 分子量: 1216.0
• InChiKey: ZLPHFPYIVKTXOQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.3
• 重原子数：
  66
• 可旋转键数：
  2
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  506
• 氢给体数：
  0
• 氢受体数：
  20

反应信息

• 作为产物：
  描述：

  2-[2,3,4,5-Tetrakis(1,3-benzodithiol-2-ylidene)cyclopentylidene]-[1,3]dithiolo[4,5-d][1,3]dithiol-5-one 、 2-[4,5-Bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-[1,3]dithiolo[4,5-d][1,3]dithiole-5-thione 在 三甲氧基磷 作用下， 以 甲苯 为溶剂， 反应 2.0h， 以59%的产率得到2-[2,3,4-Tris(1,3-benzodithiol-2-ylidene)-5-[5-[5-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-[1,3]dithiolo[4,5-d][1,3]dithiol-2-ylidene]-[1,3]dithiolo[4,5-d][1,3]dithiol-2-ylidene]cyclopentylidene]-1,3-benzodithiole
  参考文献：
  名称：

  [5]Radialene-Fused Tetrathiafulvalenes Exhibiting a Simultaneous Four- or Eight-Electron Transfer

  摘要：

  Novel bis- and tris-fused tetrathiafulvalene (TTF) analogs possessing [5]radialene with quintuple 1,3-dithioI-2-ylidene moieties (2-4) were successfully synthesized. Cyclic voltammetry and differential pulse voltammetry revealed that they exhibited a simultaneous four- or eight-electron transfer process. It is suggested that four positive charges are distributed mainly over each of one or two DT[5]radialene units in 2(4+), 3(4+), and 4(8+).

  DOI：

  10.1021/ol401350c