33-Tetradecoxy-10,13,16,19,22-pentaoxa-3,29,35-triazatetracyclo[29.3.1.04,9.023,28]pentatriaconta-1(34),2,4,6,8,23,25,27,29,31(35),32-undecaene | 1393660-80-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 33-Tetradecoxy-10,13,16,19,22-pentaoxa-3,29,35-triazatetracyclo[29.3.1.04,9.023,28]pentatriaconta-1(34),2,4,6,8,23,25,27,29,31(35),32-undecaene
• 英文别名: 33-tetradecoxy-10,13,16,19,22-pentaoxa-3,29,35-triazatetracyclo[29.3.1.04,9.023,28]pentatriaconta-1(34),2,4,6,8,23,25,27,29,31(35),32-undecaene
• CAS: 1393660-80-4
• 化学式: C₄₁H₅₇N₃O₆
• 分子量: 687.92
• InChiKey: FLFOIESYOBDNOY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.6
• 重原子数：
  50
• 可旋转键数：
  14
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  93
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  33-Tetradecoxy-10,13,16,19,22-pentaoxa-3,29,35-triazatetracyclo[29.3.1.04,9.023,28]pentatriaconta-1(34),2,4,6,8,23,25,27,29,31(35),32-undecaene 在 硼烷四氢呋喃络合物 作用下， 生成 33-Tetradecoxy-10,13,16,19,22-pentaoxa-3,29,35-triazatetracyclo[29.3.1.04,9.023,28]pentatriaconta-1(34),4,6,8,23,25,27,31(35),32-nonaene
  参考文献：
  名称：

  树状[2]轮烷：合成，表征和性能

  摘要：

  已经设计并合成了一系列树枝状铵盐。随后，它们被用于通过模板导向的剪切方法来构建相应的[2]轮烷。异常地，还获得了两种不对称的含有荧光团（py单元）的树枝状[2]轮烷。测量了它们的光学性质，例如紫外线/可见光吸收和荧光。结果表明，这两种轮烷在固态中比在溶液中具有更强的分子间相互作用。结果，高浓度的溶液容易形成准分子。这些特殊的轮烷可能会应用于动态荧光响应材料中，并且轮烷结构也将被用作调整荧光分子聚集行为的策略。

  DOI：

  10.1021/jo402428y
• 作为产物：
  描述：

  dimethyl 4-hydroxypyridine-2,6-dicarboxylate 在 selenium(IV) oxide 、 sodium tetrahydroborate 、 dibenzylammonium hexafluorophosphate 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲醇 、 乙腈 为溶剂， 反应 40.0h， 生成 33-Tetradecoxy-10,13,16,19,22-pentaoxa-3,29,35-triazatetracyclo[29.3.1.04,9.023,28]pentatriaconta-1(34),2,4,6,8,23,25,27,29,31(35),32-undecaene
  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

• Dendritic [2]Rotaxanes: Synthesis, Characterization, and Properties
  作者：Guoxing Liu、Ziyong Li、Di Wu、Wen Xue、Tingting Li、Sheng Hua Liu、Jun Yin

  DOI：10.1021/jo402428y

  日期：2014.1.17

  Subsequently, they were used to construct the corresponding [2]rotaxanes by a template-directed clipping approach. Unusually, two unsymmetrical dendritic [2]rotaxanes containing fluorophore (pyrene units) were also obtained; their optical properties, such as UV/vis absorption and fluorescence, were measured. The results indicate that these two rotaxanes possess stronger intermolecular interaction in the solid

  已经设计并合成了一系列树枝状铵盐。随后，它们被用于通过模板导向的剪切方法来构建相应的[2]轮烷。异常地，还获得了两种不对称的含有荧光团（py单元）的树枝状[2]轮烷。测量了它们的光学性质，例如紫外线/可见光吸收和荧光。结果表明，这两种轮烷在固态中比在溶液中具有更强的分子间相互作用。结果，高浓度的溶液容易形成准分子。这些特殊的轮烷可能会应用于动态荧光响应材料中，并且轮烷结构也将被用作调整荧光分子聚集行为的策略。
• Tetraphenylethene modified [n]rotaxanes: synthesis, characterization and aggregation-induced emission behavior
  作者：Guoxing Liu、Di Wu、Jinhua Liang、Xie Han、Sheng Hua Liu、Jun Yin

  DOI：10.1039/c5ob00068h

  日期：——

  A series of novel [n]rotaxanes based on a tetraphenylethene (TPE) backbone were constructed by a template-directed clipping approach and their structures were well-characterized.

  一系列基于四苯乙烯（TPE）骨架的新型[ n ]轮烷通过模板引导的剪接方法构建，并且它们的结构得到了良好的表征。
• 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.