7-Methoxy-9,12,15,18,25,28,31,34-octaoxa-3-azoniatetracyclo[33.2.2.25,8.019,24]hentetraconta-1(38),5,7,19,21,23,35(39),36,40-nonaene;10,13,16,19,22-pentaoxa-3,29,35-triazatetracyclo[29.3.1.04,9.023,28]pentatriaconta-1(35),4,6,8,23,25,27,31,33-nonaene;hexafluorophosphate | 1393660-68-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 7-Methoxy-9,12,15,18,25,28,31,34-octaoxa-3-azoniatetracyclo[33.2.2.25,8.019,24]hentetraconta-1(38),5,7,19,21,23,35(39),36,40-nonaene;10,13,16,19,22-pentaoxa-3,29,35-triazatetracyclo[29.3.1.04,9.023,28]pentatriaconta-1(35),4,6,8,23,25,27,31,33-nonaene;hexafluorophosphate
• 英文别名: 7-methoxy-9,12,15,18,25,28,31,34-octaoxa-3-azoniatetracyclo[33.2.2.25,8.019,24]hentetraconta-1(38),5,7,19,21,23,35(39),36,40-nonaene;10,13,16,19,22-pentaoxa-3,29,35-triazatetracyclo[29.3.1.04,9.023,28]pentatriaconta-1(35),4,6,8,23,25,27,31,33-nonaene;hexafluorophosphate
• CAS: 1393660-68-8
• 化学式: C₂₇H₃₃N₃O₅*C₃₃H₄₃NO₉*F₆P*H
• 分子量: 1223.25
• InChiKey: SPULBQTVXJAFMR-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  11.9
• 重原子数：
  85
• 可旋转键数：
  1
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  183
• 氢给体数：
  3
• 氢受体数：
  24

反应信息

• 作为产物：
  描述：

  吡啶-2,6-二甲醛 、 7-Methoxy-9,12,15,18,25,28,31,34-octaoxa-3-azoniatetracyclo[33.2.2.25,8.019,24]hentetraconta-1(38),5,7,19,21,23,35(39),36,40-nonaene;hexafluorophosphate 、 tetraethylene glycol bis(2-aminophenyl)ether 在 硼烷四氢呋喃络合物 作用下， 以 乙腈 为溶剂， 反应 240.0h， 以72%的产率得到7-Methoxy-9,12,15,18,25,28,31,34-octaoxa-3-azoniatetracyclo[33.2.2.25,8.019,24]hentetraconta-1(38),5,7,19,21,23,35(39),36,40-nonaene;10,13,16,19,22-pentaoxa-3,29,35-triazatetracyclo[29.3.1.04,9.023,28]pentatriaconta-1(35),4,6,8,23,25,27,31,33-nonaene;hexafluorophosphate
  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

文献信息

• Synthesis of [2]Catenanes by Template-Directed Clipping Approach
  作者：Ziyong Li、Wenju Liu、Jishan Wu、Sheng Hua Liu、Jun Yin

  DOI：10.1021/jo3012804

  日期：2012.8.17

  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.