2-(2-bromoethylthio)-6,7-bis(dodecylthio)tetrathiafulvalene | 1336907-53-9

• 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: 2-(2-bromoethylthio)-6,7-bis(dodecylthio)tetrathiafulvalene
• CAS: 1336907-53-9
• 化学式: C₃₂H₅₅BrS₇
• 分子量: 744.155
• InChiKey: ZNMCVYKVJINLBX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.43
• 重原子数：
  40.0
• 可旋转键数：
  27.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  2-(2-bromoethylthio)-6,7-bis(dodecylthio)tetrathiafulvalene 、 disodium maleonitriledithiolato 以 N,N-二甲基甲酰胺 为溶剂， 以43%的产率得到1,2-bis[6,7-bis(dodecylthio)tetrathiafulvalen-2-ylthioethylthio]-1,2-dicyanoethene
  参考文献：
  名称：

  The Norphthalocyanines Bearing Two TTF Units: Synthesis, Photophysical and Electrochemical Properties

  摘要：

  A magnesium norphthalocyanine (6a) was prepared by the mixed condensation of phthalonitrile in excess with the dithiomaleonitrile bearing two TTF units (5), using Mg(11) as a template. Subsequent demetalation of 6a with acetic acid gave 6b in good yield. The structures of target compounds were determined by EA, NMR and TOF MS and their electrochemical and optical properties were also studied by cyclic voltammetry and UV-vis spectroscopy.

  DOI：

  10.3987/com-11-12235
• 作为产物：
  描述：

  4-(2-cyanoethylthio)-1,3-dithiole-2-one 在 cesiumhydroxide monohydrate 、 亚磷酸三乙酯 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 5.75h， 生成 2-(2-bromoethylthio)-6,7-bis(dodecylthio)tetrathiafulvalene
  参考文献：
  名称：

  The Norphthalocyanines Bearing Two TTF Units: Synthesis, Photophysical and Electrochemical Properties

  摘要：

  A magnesium norphthalocyanine (6a) was prepared by the mixed condensation of phthalonitrile in excess with the dithiomaleonitrile bearing two TTF units (5), using Mg(11) as a template. Subsequent demetalation of 6a with acetic acid gave 6b in good yield. The structures of target compounds were determined by EA, NMR and TOF MS and their electrochemical and optical properties were also studied by cyclic voltammetry and UV-vis spectroscopy.

  DOI：

  10.3987/com-11-12235