2,6-Bis(2-decyltetradecyl)-4,8-dithiophen-2-yltriazolo[4,5-f]benzotriazol-2-ium-3-ide | 1352445-64-7

• 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: 2,6-Bis(2-decyltetradecyl)-4,8-dithiophen-2-yltriazolo[4,5-f]benzotriazol-2-ium-3-ide
• CAS: 1352445-64-7
• 化学式: C₆₂H₁₀₄N₆S₂
• 分子量: 997.68
• InChiKey: UYDGGVXYKJFZRH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  27.2
• 重原子数：
  70
• 可旋转键数：
  46
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  105
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2,6-Bis(2-decyltetradecyl)-4,8-dithiophen-2-yltriazolo[4,5-f]benzotriazol-2-ium-3-ide 在 selenium(IV) oxide 、 溶剂黄146 、 锌 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 48.0h， 生成 11-(2-Decyltetradecyl)-2,8-dithiophen-2-yl-5lambda4-selena-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：

  1,2,4,5-tetraaminobenzene tetrahydrobromide 在 盐酸 、 potassium carbonate 、 sodium nitrite 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 96.0h， 生成 2,7-Bis(2-decyltetradecyl)-4,8-dithiophen-2-yltriazolo[4,5-f]benzotriazole 、 3,7-Bis(2-decyltetradecyl)-4,8-dithiophen-2-yltriazolo[4,5-f]benzotriazole 、 2,6-Bis(2-decyltetradecyl)-4,8-dithiophen-2-yltriazolo[4,5-f]benzotriazol-2-ium-3-ide
  参考文献：
  名称：

  One-Pot Synthesis of 4,8-Dibromobenzo[1,2-d;4,5-d′]bistriazole and Synthesis of its Derivatives as New Units for Conjugated Materials

  摘要：

  The one-pot synthesis of 4,8-dibromobenzo[1,2-d;4,5-d']bistriazole, followed by alkylation and Stille coupling to yield three different isomeric derivatives with markedly different optoelectronic properties, is reported. These derivatives show potential as new units in organic oligomers and polymers for electronics applications.

  DOI：

  10.1021/ol2031558

文献信息

• One-Pot Synthesis of 4,8-Dibromobenzo[1,2-d;4,5-d′]bistriazole and Synthesis of its Derivatives as New Units for Conjugated Materials
  作者：Teck Lip Tam、Hong Hup Ronnie Tan、Wanting Ye、Subodh G. Mhaisalkar、Andrew C. Grimsdale

  DOI：10.1021/ol2031558

  日期：2012.1.20

  The one-pot synthesis of 4,8-dibromobenzo[1,2-d;4,5-d']bistriazole, followed by alkylation and Stille coupling to yield three different isomeric derivatives with markedly different optoelectronic properties, is reported. These derivatives show potential as new units in organic oligomers and polymers for electronics applications.
• 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.