12,13,14,37,38,39-Hexazaundecacyclo[39.7.1.12,10.112,15.117,25.126,34.136,39.03,8.019,24.027,32.043,48]tetrapentaconta-1(49),2(54),3,5,7,9,13,15(53),17,19,21,23,25(52),26(51),27,29,31,33,36(50),37,41,43,45,47-tetracosaene-49,51,52,54-tetrol | 1336875-32-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 12,13,14,37,38,39-Hexazaundecacyclo[39.7.1.12,10.112,15.117,25.126,34.136,39.03,8.019,24.027,32.043,48]tetrapentaconta-1(49),2(54),3,5,7,9,13,15(53),17,19,21,23,25(52),26(51),27,29,31,33,36(50),37,41,43,45,47-tetracosaene-49,51,52,54-tetrol
• 英文别名: 12,13,14,37,38,39-hexazaundecacyclo[39.7.1.12,10.112,15.117,25.126,34.136,39.03,8.019,24.027,32.043,48]tetrapentaconta-1(49),2(54),3,5,7,9,13,15(53),17,19,21,23,25(52),26(51),27,29,31,33,36(50),37,41,43,45,47-tetracosaene-49,51,52,54-tetrol
• CAS: 1336875-32-1
• 化学式: C₄₈H₃₄N₆O₄
• 分子量: 758.836
• InChiKey: FPFYSPZTKUKMAC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.5
• 重原子数：
  58
• 可旋转键数：
  0
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  142
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  (S)-3,3'-diazidomethyl-2,2'-dimethoxymethoxy-1,1'-dinaphthyl 在 copper(II) sulfate 、 sodium ascorbate 、 三氟乙酸 作用下， 以 水 、 叔丁醇 为溶剂， 反应 24.0h， 生成 12,13,14,37,38,39-Hexazaundecacyclo[39.7.1.12,10.112,15.117,25.126,34.136,39.03,8.019,24.027,32.043,48]tetrapentaconta-1(49),2(54),3,5,7,9,13,15(53),17,19,21,23,25(52),26(51),27,29,31,33,36(50),37,41,43,45,47-tetracosaene-49,51,52,54-tetrol
  参考文献：
  名称：

  A novel BINOL-based cyclophane via click chemistry: synthesis and its applications for sensing silver ions

  摘要：

  A novel BINOL-based cyclophane 1 incorporating two triazole moieties was synthesized via click chemistry and characterized. Among the metal ions screened, only Ag+ was found to have the ability to quench the fluorescence of 1 in methanol solution. The 1:1 binding mode of 1-Ag+ was confirmed. The competitive experiment showed that compound 1 can be used as a specific fluorescent sensor for Ag+ over a wide range of competing cations. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.07.050

文献信息

• A novel BINOL-based cyclophane via click chemistry: synthesis and its applications for sensing silver ions
  作者：Ji-Ting Hou、Qin-Fang Zhang、Bang-Yu Xu、Qiao-Sen Lu、Qiang Liu、Ji Zhang、Xiao-Qi Yu

  DOI：10.1016/j.tetlet.2011.07.050

  日期：2011.9

  A novel BINOL-based cyclophane 1 incorporating two triazole moieties was synthesized via click chemistry and characterized. Among the metal ions screened, only Ag+ was found to have the ability to quench the fluorescence of 1 in methanol solution. The 1:1 binding mode of 1-Ag+ was confirmed. The competitive experiment showed that compound 1 can be used as a specific fluorescent sensor for Ag+ over a wide range of competing cations. (C) 2011 Elsevier Ltd. All rights reserved.