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 | 1393660-55-3

• 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-azoniatetracyclo[33.2.2.25,8.019,24]hentetraconta-1(38),5,7,19,21,23,35(39),36,40-nonaene;hexafluorophosphate
• 英文别名: 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
• CAS: 1393660-55-3
• 化学式: C₃₂H₄₁NO₈*F₆P*H
• 分子量: 713.652
• InChiKey: KZBZPRLYSFBXOX-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  6.63
• 重原子数：
  48
• 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：
  90.4
• 氢给体数：
  1
• 氢受体数：
  15

反应信息

• 作为反应物：
  描述：

  间苯二甲醛 、 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51%的产率得到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-diazatetracyclo[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
• 作为产物：
  描述：

  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 在 三氟乙酸 、 ammonium hexafluorophosphate 作用下， 以 二氯甲烷 、 甲醇 为溶剂， 反应 2.0h， 以91%的产率得到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
  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

• Construction of photoswitchable rotaxanes and catenanes containing dithienylethene fragments
  作者：Ziyong Li、Xie Han、Haiyan Chen、Di Wu、Fang Hu、Sheng Hua Liu、Jun Yin

  DOI：10.1039/c5ob00864f

  日期：——

  unique structural characteristics. In this study, we have designed and synthesized a series of photoswitchable rotaxanes and catenanes containing photochromic dithienylethene fragments using a template-directed clipping approach based on dynamic imine chemistry. Their structures have been confirmed using NMR, mass spectrometry and elemental analysis. Investigations into their photoisomerization properties

  机械互锁的结构，例如轮烷和链烷，为构建具有独特结构特征的功能材料提供了新颖的骨架。在这项研究中，我们使用基于动态亚胺化学的模板定向剪切方法，设计并合成了一系列包含光致变色二噻吩乙烯乙烯片段的可光转换的轮烷和链烷。使用NMR，质谱和元素分析已确认了它们的结构。对它们的光异构化性质的研究表明，这些二噻吩基乙烯基机械互锁分子在紫外线或可见光照射下具有良好的可逆性和出色的抗疲劳性。有趣的是，与单二噻吩乙烯衍生物相比，包含两个二噻吩乙烯骨架的机械互锁分子的摩尔吸收系数提高了约2倍。此外，在二噻吩基乙烯组分中引入荧光团pyr有助于这些分子用作荧光开关。