11-(2-Decyltetradecyl)-2,8-dithiophen-2-yl-5lambda4-thia-4,6,10,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaene | 1403388-36-2

• 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: 11-(2-Decyltetradecyl)-2,8-dithiophen-2-yl-5lambda4-thia-4,6,10,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaene
• 英文别名: 11-(2-decyltetradecyl)-2,8-dithiophen-2-yl-5λ4-thia-4,6,10,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaene
• CAS: 1403388-36-2
• 化学式: C₃₈H₅₅N₅S₃
• 分子量: 678.086
• InChiKey: HYNKKRAUAMEMTQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.1
• 重原子数：
  46
• 可旋转键数：
  24
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  113
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  11-(2-Decyltetradecyl)-2,8-dithiophen-2-yl-5lambda4-thia-4,6,10,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaene 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 氯仿 为溶剂， 以82%的产率得到2,8-Bis(5-bromothiophen-2-yl)-11-(2-decyltetradecyl)-5lambda4-thia-4,6,10,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaene
  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：

  2,6-Bis(2-decyltetradecyl)-4,8-dithiophen-2-yltriazolo[4,5-f]benzotriazol-2-ium-3-ide 在 吡啶 、 三甲基氯硅烷 、 溶剂黄146 、 N-亚磺酰苯胺 、 锌 作用下， 以 四氢呋喃 为溶剂， 反应 48.0h， 生成 11-(2-Decyltetradecyl)-2,8-dithiophen-2-yl-5lambda4-thia-4,6,10,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaene
  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.