5,5,17,17-Tetramethyl-3,7,15,19-tetraoxa-10,11,12,22,23,24-hexazatricyclo[20.2.1.19,12]hexacosa-1(25),9(26),10,23-tetraene-4,6,14,20-tetrone | 1413920-84-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酯类和类似物
• 英文名称: 5,5,17,17-Tetramethyl-3,7,15,19-tetraoxa-10,11,12,22,23,24-hexazatricyclo[20.2.1.19,12]hexacosa-1(25),9(26),10,23-tetraene-4,6,14,20-tetrone
• 英文别名: 5,5,17,17-tetramethyl-3,7,15,19-tetraoxa-10,11,12,22,23,24-hexazatricyclo[20.2.1.19,12]hexacosa-1(25),9(26),10,23-tetraene-4,6,14,20-tetrone
• CAS: 1413920-84-9
• 化学式: C₂₀H₂₆N₆O₈
• 分子量: 478.462
• InChiKey: GWXKKJUXKLUPLC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  34
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  167
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  二甲基丙二酸 在 copper(ll) sulfate pentahydrate 、 sodium L-ascorbate 、 potassium carbonate 作用下， 以 水 、 N,N-二甲基甲酰胺 、 叔丁醇 为溶剂， 反应 10.0h， 生成 5,5,17,17-Tetramethyl-3,7,15,19-tetraoxa-10,11,12,22,23,24-hexazatricyclo[20.2.1.19,12]hexacosa-1(25),9(26),10,23-tetraene-4,6,14,20-tetrone
  参考文献：
  名称：

  A dual-responsive macrocycle based on glycyrrhetinic acid

  摘要：

  A glycyrrhetinic acid-based macrocycle was synthesized using CuAAC 'click chemistry' and it showed remarkable selectivity and affinity for F- ions, as well as He ions. During the dual-responsive recognition process, 1,2,3-triazole ring, carbonyl group, and glycyrrhetinic acid rigid skeleton play the significant roles in the ion binding. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.09.118

文献信息

• A dual-responsive macrocycle based on glycyrrhetinic acid
  作者：Jun Hu、Jindan Wu、Jinrong Lu、Yong Ju

  DOI：10.1016/j.tetlet.2012.09.118

  日期：2012.12

  A glycyrrhetinic acid-based macrocycle was synthesized using CuAAC 'click chemistry' and it showed remarkable selectivity and affinity for F- ions, as well as He ions. During the dual-responsive recognition process, 1,2,3-triazole ring, carbonyl group, and glycyrrhetinic acid rigid skeleton play the significant roles in the ion binding. (C) 2012 Elsevier Ltd. All rights reserved.