3,6-bis(5-bromothiophen-2-yl)-2-(2-ethylhexyl)-5-((1-(2-(3-((6-((4-(tris(4-(tertbutyl)phenyl)methyl)phenoxy)methyl)pyridin-2-yl)methoxy)phenoxy)ethyl)-1H-1,2,3-triazol-4-yl)methyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione | 1426246-25-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 3,6-bis(5-bromothiophen-2-yl)-2-(2-ethylhexyl)-5-((1-(2-(3-((6-((4-(tris(4-(tertbutyl)phenyl)methyl)phenoxy)methyl)pyridin-2-yl)methoxy)phenoxy)ethyl)-1H-1,2,3-triazol-4-yl)methyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione
• 英文别名: 1,4-Bis(5-bromothiophen-2-yl)-5-(2-ethylhexyl)-2-[[1-[2-[3-[[6-[[4-[tris(4-tert-butylphenyl)methyl]phenoxy]methyl]pyridin-2-yl]methoxy]phenoxy]ethyl]triazol-4-yl]methyl]pyrrolo[3,4-c]pyrrole-3,6-dione；1,4-bis(5-bromothiophen-2-yl)-5-(2-ethylhexyl)-2-[[1-[2-[3-[[6-[[4-[tris(4-tert-butylphenyl)methyl]phenoxy]methyl]pyridin-2-yl]methoxy]phenoxy]ethyl]triazol-4-yl]methyl]pyrrolo[3,4-c]pyrrole-3,6-dione
• CAS: 1426246-25-4
• 化学式: C₇₇H₈₂Br₂N₆O₅S₂
• 分子量: 1395.48
• InChiKey: IDFYZRCRIXFINV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  19.7
• 重原子数：
  92
• 可旋转键数：
  27
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  168
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  3,6-bis(5-bromothiophen-2-yl)-2-(2-ethylhexyl)-5-(prop-2-yn-1-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione 、 2-[[3-(2-Azidoethoxy)phenoxy]methyl]-6-[[4-[tris(4-tert-butylphenyl)methyl]phenoxy]methyl]pyridine 在 copper(ll) sulfate pentahydrate 、 sodium ascorbate 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 6.0h， 以76%的产率得到3,6-bis(5-bromothiophen-2-yl)-2-(2-ethylhexyl)-5-((1-(2-(3-((6-((4-(tris(4-(tertbutyl)phenyl)methyl)phenoxy)methyl)pyridin-2-yl)methoxy)phenoxy)ethyl)-1H-1,2,3-triazol-4-yl)methyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione
  参考文献：
  名称：

  A Novel Diketopyrrolopyrrole (DPP)-Based [2]Rotaxane for Highly Selective Optical Sensing of Fluoride

  摘要：

  A novel [2]rotaxane based on an orthogonal H-bonded motif and 3,6-di(thiophen-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione (DPP) with controlled topicity was successfully constructed, displaying excellent stimulated responses toward anion and solvent polarity. The preorganized host selectively recognized F- with high optical sensitivity and reversibility via enhanced positive cooperativity and noncovalent interaction by evidence of a shorter fluorescence lifetime.

  DOI：

  10.1021/ol400221h

文献信息

• A Novel Diketopyrrolopyrrole (DPP)-Based [2]Rotaxane for Highly Selective Optical Sensing of Fluoride
  作者：Mandapati V. Ramakrishnam Raju、Hong-Cheu Lin

  DOI：10.1021/ol400221h

  日期：2013.3.15

  A novel [2]rotaxane based on an orthogonal H-bonded motif and 3,6-di(thiophen-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione (DPP) with controlled topicity was successfully constructed, displaying excellent stimulated responses toward anion and solvent polarity. The preorganized host selectively recognized F- with high optical sensitivity and reversibility via enhanced positive cooperativity and noncovalent interaction by evidence of a shorter fluorescence lifetime.