2,7-Bis(2-decyltetradecyl)-4,8-dithiophen-2-ylimidazo[4,5-f]benzotriazole | 1403388-40-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并三唑类
• 英文名称: 2,7-Bis(2-decyltetradecyl)-4,8-dithiophen-2-ylimidazo[4,5-f]benzotriazole
• 英文别名: 2,7-bis(2-decyltetradecyl)-4,8-dithiophen-2-ylimidazo[4,5-f]benzotriazole
• CAS: 1403388-40-8
• 化学式: C₆₃H₁₀₅N₅S₂
• 分子量: 996.692
• InChiKey: YKRUHPHWHFXAJR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  27.3
• 重原子数：
  70
• 可旋转键数：
  46
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  105
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2,7-Bis(2-decyltetradecyl)-4,8-dithiophen-2-ylimidazo[4,5-f]benzotriazole 在 N-溴代丁二酰亚胺(NBS) 、 溶剂黄146 作用下， 以 氯仿 为溶剂， 以95%的产率得到4,8-Bis(5-bromothiophen-2-yl)-2,7-bis(2-decyltetradecyl)imidazo[4,5-f]benzotriazole
  参考文献：
  名称：

  Synthesis and Characterization of a Series of Annelated Benzotriazole Based Polymers with Variable Bandgap

  摘要：

  Here we report the synthesis and characterization of a series of annelated benzotriazole based polymers with variable bandgap. Benzobistriazole monomers reported by us previously were desymmetrized using partial reduction ring opening followed by ring closure to produce a wide range of annelated benzotriazole based monomers. These monomers were co-polymerized with a fluorene moiety to give polymers with bandgaps ranging from 1.16 to 2.41 eV.

  DOI：

  10.1021/jo301281d
• 作为产物：
  描述：

  甲酸 、 2,7-Bis(2-decyltetradecyl)-4,8-dithiophen-2-yltriazolo[4,5-f]benzotriazole 在 溶剂黄146 、 锌 作用下， 以 四氢呋喃 为溶剂， 反应 72.0h， 以50%的产率得到2,7-Bis(2-decyltetradecyl)-4,8-dithiophen-2-ylimidazo[4,5-f]benzotriazole
  参考文献：
  名称：

  Synthesis and Characterization of a Series of Annelated Benzotriazole Based Polymers with Variable Bandgap

  摘要：

  Here we report the synthesis and characterization of a series of annelated benzotriazole based polymers with variable bandgap. Benzobistriazole monomers reported by us previously were desymmetrized using partial reduction ring opening followed by ring closure to produce a wide range of annelated benzotriazole based monomers. These monomers were co-polymerized with a fluorene moiety to give polymers with bandgaps ranging from 1.16 to 2.41 eV.

  DOI：

  10.1021/jo301281d