3-{4-[8-(1-{3-[bis-(4-methoxyphenyl)-phenyl-methoxy]-propyl}-1H-[1,2,3]triazol-4-yl)-pyren-1-yl]-1H-[1,2,3]triazol-1-yl}-propan-1-ol | 1027791-81-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: 3-{4-[8-(1-{3-[bis-(4-methoxyphenyl)-phenyl-methoxy]-propyl}-1H-[1,2,3]triazol-4-yl)-pyren-1-yl]-1H-[1,2,3]triazol-1-yl}-propan-1-ol
• 英文别名: 3-[4-[8-[1-[3-[Bis(4-methoxyphenyl)-phenylmethoxy]propyl]triazol-4-yl]pyren-1-yl]triazol-1-yl]propan-1-ol；3-[4-[8-[1-[3-[bis(4-methoxyphenyl)-phenylmethoxy]propyl]triazol-4-yl]pyren-1-yl]triazol-1-yl]propan-1-ol
• CAS: 1027791-81-6
• 化学式: C₄₇H₄₂N₆O₄
• 分子量: 754.888
• InChiKey: OVDMAUMQSWAHKM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.3
• 重原子数：
  57
• 可旋转键数：
  15
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  109
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  3-{4-[8-(1-{3-[bis-(4-methoxyphenyl)-phenyl-methoxy]-propyl}-1H-[1,2,3]triazol-4-yl)-pyren-1-yl]-1H-[1,2,3]triazol-1-yl}-propan-1-ol 、 2-氰乙基N,N-二异丙基氯亚磷酰胺 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以71%的产率得到diisopropyl-phosphoramidous acid 3-{4-[8-(1-{3-[bis-(4-methoxyphenyl)-phenyl-methoxy]-propyl}-1H-[1,2,3]triazol-4-yl)-pyren-1-yl]-1H-[1,2,3]triazol-1-yl}-propyl ester 2-cyano-ethyl ester
  参考文献：
  名称：

  Triazolylpyrenes: Synthesis, FluorescenceProperties, and Incorporation into DNA

  摘要：

  Synthesis of 1,6- and 1,8-triazolylpyrenes and their incorporation into oligonucleotides is described. In hybrids, triazolylpyrenes adopt interstrand stacking interactions. Exciton coupling is observed for the duplex containing a pair of the 1,6-isomer indicating a well-defined helical arrangement of the triazolylpyrene building blocks. Triazole substitution results in pronounced red-shifts of monomer as well as excimer fluorescence. Furthermore, quantum yields of the formed excimers are remarkably high.

  DOI：

  10.1021/ol8006474
• 作为产物：
  描述：

  3-bromo-1-(4',4''-dimethoxytrityloxy)propane 、 1,8-diethynylpyrene 、 3-溴-1-丙醇 在 sodium azide 、 copper(l) iodide 、 sodium ascorbate 作用下， 以 氘代二甲亚砜 为溶剂， 反应 65.0h， 以26%的产率得到3-{4-[8-(1-{3-[bis-(4-methoxyphenyl)-phenyl-methoxy]-propyl}-1H-[1,2,3]triazol-4-yl)-pyren-1-yl]-1H-[1,2,3]triazol-1-yl}-propan-1-ol
  参考文献：
  名称：

  Triazolylpyrenes: Synthesis, FluorescenceProperties, and Incorporation into DNA

  摘要：

  Synthesis of 1,6- and 1,8-triazolylpyrenes and their incorporation into oligonucleotides is described. In hybrids, triazolylpyrenes adopt interstrand stacking interactions. Exciton coupling is observed for the duplex containing a pair of the 1,6-isomer indicating a well-defined helical arrangement of the triazolylpyrene building blocks. Triazole substitution results in pronounced red-shifts of monomer as well as excimer fluorescence. Furthermore, quantum yields of the formed excimers are remarkably high.

  DOI：

  10.1021/ol8006474

文献信息

• Triazolylpyrenes: Synthesis, FluorescenceProperties, and Incorporation into DNA
  作者：Sarah Werder、Vladimir L. Malinovskii、Robert Häner

  DOI：10.1021/ol8006474

  日期：2008.5.1

  Synthesis of 1,6- and 1,8-triazolylpyrenes and their incorporation into oligonucleotides is described. In hybrids, triazolylpyrenes adopt interstrand stacking interactions. Exciton coupling is observed for the duplex containing a pair of the 1,6-isomer indicating a well-defined helical arrangement of the triazolylpyrene building blocks. Triazole substitution results in pronounced red-shifts of monomer as well as excimer fluorescence. Furthermore, quantum yields of the formed excimers are remarkably high.