3,6,9,12,15,29,32,38,41-Nonaoxa-35-azaheptacyclo[25.25.1.117,43.02,49.016,21.023,28.042,47]tetrapentaconta-1(52),2(49),16,18,20,23,25,27,42(47),43,45,50-dodecaene | 286460-91-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3,6,9,12,15,29,32,38,41-Nonaoxa-35-azaheptacyclo[25.25.1.117,43.02,49.016,21.023,28.042,47]tetrapentaconta-1(52),2(49),16,18,20,23,25,27,42(47),43,45,50-dodecaene
• CAS: 286460-91-1
• 化学式: C₄₄H₅₃NO₉
• 分子量: 739.906
• InChiKey: KFENJHZWWFQVOM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  54
• 可旋转键数：
  0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  95.1
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  2,4,6-三硝基苯酚铵 、 3,6,9,12,15,29,32,38,41-Nonaoxa-35-azaheptacyclo[25.25.1.117,43.02,49.016,21.023,28.042,47]tetrapentaconta-1(52),2(49),16,18,20,23,25,27,42(47),43,45,50-dodecaene 以 氘代氯仿 为溶剂， 反应 24.0h， 生成
  参考文献：
  名称：

  Two novel 1,3-calix[4]azacrowns

  摘要：

  Two 1,3-calix[4]azacrowns-5 in the 1,3-alternate conformation have been constructed from calix[4]arene. They formed 1:1 endo and 1:2 endo-endo complexes with NH4+ in CDCl3. Comparison with 1,3-calix[4]-bis-crown-5 lead us to conclude a better binding by replacement of the central O atom by NH group in the crown. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)00382-8
• 作为产物：
  描述：

  四乙二醇二对甲苯磺酸酯 在 disodium hydrogenphosphate 、 sodium amalgam 、 caesium carbonate 作用下， 以 1,4-二氧六环 、 甲醇 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 96.0h， 生成 3,6,9,12,15,29,32,38,41-Nonaoxa-35-azaheptacyclo[25.25.1.117,43.02,49.016,21.023,28.042,47]tetrapentaconta-1(52),2(49),16,18,20,23,25,27,42(47),43,45,50-dodecaene
  参考文献：
  名称：

  Two novel 1,3-calix[4]azacrowns

  摘要：

  Two 1,3-calix[4]azacrowns-5 in the 1,3-alternate conformation have been constructed from calix[4]arene. They formed 1:1 endo and 1:2 endo-endo complexes with NH4+ in CDCl3. Comparison with 1,3-calix[4]-bis-crown-5 lead us to conclude a better binding by replacement of the central O atom by NH group in the crown. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)00382-8

文献信息

• Pyrene-Armed Calix[4]azacrowns as New Fluorescent Ionophores:  “Molecular Taekowndo” Process via Fluorescence Change
  作者：Jong Seung Kim、Ok Jae Shon、Jeong Ah Rim、Sook Kyung Kim、Juyoung Yoon

  DOI：10.1021/jo010877w

  日期：2002.4.1

  A series of new calixarene-based fluoroionophores were synthesized. With our new calixarene derivative bearing a crown ether and an azacrown ether as two binding sites, the metal ion was found to selectively choose its better binding pocket between these two ligands. Interesting "molecular taekowndo" processes between Ag(+)-K(+), Cu(2+)-K(+), and Ag(+)-Cs(+) pairs were easily monitored via fluorescence

  合成了一系列新的基于杯芳烃的氟离子载体。使用我们的新杯芳烃衍生物，其中冠状醚和氮杂冠状醚作为两个结合位点，发现金属离子在这两个配体之间选择性地选择了更好的结合口袋。Ag（+）-K（+），Cu（2 +）-K（+）和Ag（+）-Cs（+）对之间有趣的“分子跆拳道”过程很容易通过荧光变化进行监测。