2-[2,3,4,5-Tetrakis(1,3-benzodithiol-2-ylidene)cyclopentylidene]-[1,3]dithiolo[4,5-d][1,3]dithiol-5-one | 1447823-49-5

• 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-[2,3,4,5-Tetrakis(1,3-benzodithiol-2-ylidene)cyclopentylidene]-[1,3]dithiolo[4,5-d][1,3]dithiol-5-one
• CAS: 1447823-49-5
• 化学式: C₃₇H₁₆OS₁₂
• 分子量: 861.325
• InChiKey: HFUDYJKLBPTCAI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.3
• 重原子数：
  50
• 可旋转键数：
  0
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  321
• 氢给体数：
  0
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  4,5-双(甲硫代)-1,3-二硫杂环戊烯-2-硫酮 、 2-[2,3,4,5-Tetrakis(1,3-benzodithiol-2-ylidene)cyclopentylidene]-[1,3]dithiolo[4,5-d][1,3]dithiol-5-one 在 三甲氧基磷 作用下， 以 甲苯 为溶剂， 反应 2.0h， 以46%的产率得到2-[2,3,4-Tris(1,3-benzodithiol-2-ylidene)-5-[5-[4,5-bis(methylsulfanyl)-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
• 作为产物：
  描述：

  三光气 、 以 四氢呋喃 为溶剂， 以472 mg的产率得到2-[2,3,4,5-Tetrakis(1,3-benzodithiol-2-ylidene)cyclopentylidene]-[1,3]dithiolo[4,5-d][1,3]dithiol-5-one
  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