9,12,15,18,25,28,31,34-Octaoxa-3-azatetracyclo[33.2.2.25,8.019,24]hentetraconta-1(38),5,7,19,21,23,35(39),36,40-nonaene | 1393660-54-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 9,12,15,18,25,28,31,34-Octaoxa-3-azatetracyclo[33.2.2.25,8.019,24]hentetraconta-1(38),5,7,19,21,23,35(39),36,40-nonaene
• 英文别名: 9,12,15,18,25,28,31,34-octaoxa-3-azatetracyclo[33.2.2.25,8.019,24]hentetraconta-1(38),5,7,19,21,23,35(39),36,40-nonaene
• CAS: 1393660-54-2
• 化学式: C₃₂H₄₁NO₈
• 分子量: 567.679
• InChiKey: QTQKGQCAHBKUER-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  41
• 可旋转键数：
  0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  85.9
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  二碳酸二叔丁酯 、 9,12,15,18,25,28,31,34-Octaoxa-3-azatetracyclo[33.2.2.25,8.019,24]hentetraconta-1(38),5,7,19,21,23,35(39),36,40-nonaene 在 三乙胺 作用下， 以 氯仿 为溶剂， 反应 24.0h， 以0.09 g的产率得到Tert-butyl 9,12,15,18,25,28,31,34-octaoxa-3-azatetracyclo[33.2.2.25,8.019,24]hentetraconta-1(38),5,7,19,21,23,35(39),36,40-nonaene-3-carboxylate
  参考文献：
  名称：

  Synthesis of [2]Catenanes by Template-Directed Clipping Approach

  摘要：

  A series of [2]catenanes were efficiently synthesized in high yields by a template-directed clipping approach with the formation of one macrocycle around another macrocycle containing a dialkylammonium recognition site. Their structures were identified by the NMR spectra and ESI mass spectrometry, and their geometries were investigated by the theoretical calculation.

  DOI：

  10.1021/jo3012804
• 作为产物：
  描述：

  在 sodium tetrahydroborate 、 caesium carbonate 作用下， 以 四氢呋喃 、 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 84.0h， 生成 9,12,15,18,25,28,31,34-Octaoxa-3-azatetracyclo[33.2.2.25,8.019,24]hentetraconta-1(38),5,7,19,21,23,35(39),36,40-nonaene
  参考文献：
  名称：

  Synthesis of [2]Catenanes by Template-Directed Clipping Approach

  摘要：

  A series of [2]catenanes were efficiently synthesized in high yields by a template-directed clipping approach with the formation of one macrocycle around another macrocycle containing a dialkylammonium recognition site. Their structures were identified by the NMR spectra and ESI mass spectrometry, and their geometries were investigated by the theoretical calculation.

  DOI：

  10.1021/jo3012804