1-[2-[(9,14,19,24,26,28,30,32,34-Nonamethoxy-4-hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(26),3(35),4,6(34),8,10,13,15,18(29),19,21(28),23(27),24,30,32-pentadecaenyl)oxy]ethyl]-4-(pyren-1-ylmethoxymethyl)triazole | 1290547-31-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 1-[2-[(9,14,19,24,26,28,30,32,34-Nonamethoxy-4-hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(26),3(35),4,6(34),8,10,13,15,18(29),19,21(28),23(27),24,30,32-pentadecaenyl)oxy]ethyl]-4-(pyren-1-ylmethoxymethyl)triazole
• 英文别名: 1-[2-[(9,14,19,24,26,28,30,32,34-nonamethoxy-4-hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(26),3(35),4,6(34),8,10,13,15,18(29),19,21(28),23(27),24,30,32-pentadecaenyl)oxy]ethyl]-4-(pyren-1-ylmethoxymethyl)triazole
• CAS: 1290547-31-7
• 化学式: C₆₆H₆₅N₃O₁₁
• 分子量: 1076.26
• InChiKey: BXLNBYANBBBSNV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13
• 重原子数：
  80
• 可旋转键数：
  17
• 环数：
  20.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  132
• 氢给体数：
  0
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  1,7-二氨基庚烷 、 1-[2-[(9,14,19,24,26,28,30,32,34-Nonamethoxy-4-hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(26),3(35),4,6(34),8,10,13,15,18(29),19,21(28),23(27),24,30,32-pentadecaenyl)oxy]ethyl]-4-(pyren-1-ylmethoxymethyl)triazole 以 水 、 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Monofunctionalized Pillar[5]arene as a Host for Alkanediamines

  摘要：

  Alkanediamines serve as neutral guests for the recently discovered host pillar[5]arene. The proposed [2]pseudorotaxane nature of the superstructure of the 1:1 host-guest complexes is supported by the template-directed synthesis of a related [2]rotaxane. A synthetic route to monofunctional pillar[5]arenes has also been developed, allowing for the creation of a fluorescent sensor for alkylamine binding. The precursors to this host could act as starting points for a large library of monofunctional pillar[5]arene macrocycles.

  DOI：

  10.1021/ja111418j
• 作为产物：
  描述：

  1-(2-溴乙氧基)-4-甲氧基苯 在 sodium azide 、 copper(ll) sulfate pentahydrate 、 三氟化硼乙醚 、 sodium ascorbate 作用下， 以 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 反应 27.0h， 生成 1-[2-[(9,14,19,24,26,28,30,32,34-Nonamethoxy-4-hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(26),3(35),4,6(34),8,10,13,15,18(29),19,21(28),23(27),24,30,32-pentadecaenyl)oxy]ethyl]-4-(pyren-1-ylmethoxymethyl)triazole
  参考文献：
  名称：

  Monofunctionalized Pillar[5]arene as a Host for Alkanediamines

  摘要：

  Alkanediamines serve as neutral guests for the recently discovered host pillar[5]arene. The proposed [2]pseudorotaxane nature of the superstructure of the 1:1 host-guest complexes is supported by the template-directed synthesis of a related [2]rotaxane. A synthetic route to monofunctional pillar[5]arenes has also been developed, allowing for the creation of a fluorescent sensor for alkylamine binding. The precursors to this host could act as starting points for a large library of monofunctional pillar[5]arene macrocycles.

  DOI：

  10.1021/ja111418j