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 | 1027791-85-0

• 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: 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
• 英文别名: 3-[3-[4-[8-[1-[3-[Bis(4-methoxyphenyl)-phenylmethoxy]propyl]triazol-4-yl]pyren-1-yl]triazol-1-yl]propoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile；3-[3-[4-[8-[1-[3-[bis(4-methoxyphenyl)-phenylmethoxy]propyl]triazol-4-yl]pyren-1-yl]triazol-1-yl]propoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
• CAS: 1027791-85-0
• 化学式: C₅₆H₅₉N₈O₅P
• 分子量: 955.109
• InChiKey: MLXOBWHZVGQOQB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.3
• 重原子数：
  70
• 可旋转键数：
  23
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  135
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为产物：
  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

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.