2-(2-hexyldecyl)-5-(6-azidohexyl)-3,6-di(thiophen-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione | 1378896-43-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: 2-(2-hexyldecyl)-5-(6-azidohexyl)-3,6-di(thiophen-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione
• 英文别名: 2-(6-Azidohexyl)-5-(2-hexyldecyl)-1,4-dithiophen-2-ylpyrrolo[3,4-c]pyrrole-3,6-dione；2-(6-azidohexyl)-5-(2-hexyldecyl)-1,4-dithiophen-2-ylpyrrolo[3,4-c]pyrrole-3,6-dione
• CAS: 1378896-43-5
• 化学式: C₃₆H₅₁N₅O₂S₂
• 分子量: 649.965
• InChiKey: JMVROGQEXZQVGP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.4
• 重原子数：
  45
• 可旋转键数：
  23
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  112
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-(2-hexyldecyl)-5-(6-azidohexyl)-3,6-di(thiophen-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione 、 N-(2-ethylhexyl)-2-(4-prop-2-ynyloxy-phenyl)-3,4-fulleropyrrolidine 在 tetrakis(actonitrile)copper(I) hexafluorophosphate 、 铜 作用下， 以 四氢呋喃 为溶剂， 反应 72.0h， 以32%的产率得到
  参考文献：
  名称：

  “Click”-Functionalization of [60]Fullerene and Graphene with an Unsymmetrically Functionalized Diketopyrrolopyrrole (DPP) Derivative

  摘要：

  A synthetic strategy Is developed that allows for the facile functionalization of carbon nanostructures thus providing the possibility of comparing the striking different optical and electrochemical properties of ensembles based on the diketopyrrolopyrrole (DPP) chromophore covalently attached to either [60]fullerene or graphene.

  DOI：

  10.1021/ol301028r
• 作为产物：
  描述：

  2-(2-hexyldecyl)-3,6-di(thiophen-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione 、 1-叠氮基-6-溴己烷 在 18-冠醚-6 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以36%的产率得到2-(2-hexyldecyl)-5-(6-azidohexyl)-3,6-di(thiophen-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione
  参考文献：
  名称：

  “Click”-Functionalization of [60]Fullerene and Graphene with an Unsymmetrically Functionalized Diketopyrrolopyrrole (DPP) Derivative

  摘要：

  A synthetic strategy Is developed that allows for the facile functionalization of carbon nanostructures thus providing the possibility of comparing the striking different optical and electrochemical properties of ensembles based on the diketopyrrolopyrrole (DPP) chromophore covalently attached to either [60]fullerene or graphene.

  DOI：

  10.1021/ol301028r

文献信息

• “Click”-Functionalization of [60]Fullerene and Graphene with an Unsymmetrically Functionalized Diketopyrrolopyrrole (DPP) Derivative
  作者：Marta Castelaín、Horacio Salavagione、José L. Segura

  DOI：10.1021/ol301028r

  日期：2012.6.1

  A synthetic strategy Is developed that allows for the facile functionalization of carbon nanostructures thus providing the possibility of comparing the striking different optical and electrochemical properties of ensembles based on the diketopyrrolopyrrole (DPP) chromophore covalently attached to either [60]fullerene or graphene.