2-(2-Decyltetradecyl)-6,7-bis[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-4,9-dithiophen-2-yltriazolo[4,5-g]quinoxaline | 1403388-39-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 双噻吩和低聚噻吩
• 英文名称: 2-(2-Decyltetradecyl)-6,7-bis[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-4,9-dithiophen-2-yltriazolo[4,5-g]quinoxaline
• 英文别名: 2-(2-decyltetradecyl)-6,7-bis[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-4,9-dithiophen-2-yltriazolo[4,5-g]quinoxaline
• CAS: 1403388-39-5
• 化学式: C₆₈H₈₉N₅S₆
• 分子量: 1168.88
• InChiKey: QCDDZJCBVZUTCW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  26.5
• 重原子数：
  79
• 可旋转键数：
  38
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  226
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  2-(2-Decyltetradecyl)-6,7-bis[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-4,9-dithiophen-2-yltriazolo[4,5-g]quinoxaline 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 氯仿 为溶剂， 以93%的产率得到4,9-Bis(5-bromothiophen-2-yl)-2-(2-decyltetradecyl)-6,7-bis[5-(5-hexylthiophen-2-yl)thiophen-2-yl]triazolo[4,5-g]quinoxaline
  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：

  1,2-bis(5′-hexyl-2,2′-bithiophen-5-yl)ethane-1,2-dione 、 2,6-Bis(2-decyltetradecyl)-4,8-dithiophen-2-yltriazolo[4,5-f]benzotriazol-2-ium-3-ide 在 溶剂黄146 作用下， 以287 mg的产率得到2-(2-Decyltetradecyl)-6,7-bis[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-4,9-dithiophen-2-yltriazolo[4,5-g]quinoxaline
  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

文献信息

• Synthesis and Characterization of a Series of Annelated Benzotriazole Based Polymers with Variable Bandgap
  作者：Teck Lip Dexter Tam、Wanting Ye、Hong Hup Ronnie Tan、Feng Zhou、Haibin Su、Subodh G. Mhaisalkar、Andrew C. Grimsdale

  DOI：10.1021/jo301281d

  日期：2012.11.16

  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.