(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30-hexakis(hydroxymethyl)-35-[[4-[(3,6,7,10,11-pentapentoxytriphenylen-2-yl)oxymethyl]triazol-1-yl]methyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol | 1448423-64-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30-hexakis(hydroxymethyl)-35-[[4-[(3,6,7,10,11-pentapentoxytriphenylen-2-yl)oxymethyl]triazol-1-yl]methyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol
• CAS: 1448423-64-0
• 化学式: C₈₈H₁₃₃N₃O₄₀
• 分子量: 1873.02
• InChiKey: GZNINGXFHWZMTA-IYFOWWGUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.7
• 重原子数：
  131
• 可旋转键数：
  36
• 环数：
  26.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  620
• 氢给体数：
  20
• 氢受体数：
  42

反应信息

• 作为反应物：
  描述：

  丁酸酐 、 (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30-hexakis(hydroxymethyl)-35-[[4-[(3,6,7,10,11-pentapentoxytriphenylen-2-yl)oxymethyl]triazol-1-yl]methyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol 在 碘 作用下， 以65%的产率得到[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradeca(butanoyloxy)-15,20,25,30,35-pentakis(butanoyloxymethyl)-10-[[4-[(3,6,7,10,11-pentapentoxytriphenylen-2-yl)oxymethyl]triazol-1-yl]methyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methyl butanoate
  参考文献：
  名称：

  新型超分子液晶：基于点击化学的环糊精-三亚苯基柱液晶的合成

  摘要：

  三个新的环糊精-三亚苯衍生物6，图7a和7b中，设计并通过基于点击化学和环糊精单元的羟基基团的酰化进一步环糊精引入苯并菲单元合成。差示扫描量热仪（DSC），偏振光学显微镜（POM）和X射线衍射（XRD）首次观察到了环糊精-三亚苯基7a的柱液晶行为。

  DOI：

  10.1016/j.tetlet.2013.07.018
• 作为产物：
  描述：

  2,3,6,7,10-Pentapentoxy-11-prop-2-ynoxytriphenylene 、 6A-叠氮基-6A-脱氧-β-环糊精 在 copper(II) sulfate 、 sodium ascorbate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 8.0h， 以80%的产率得到(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30-hexakis(hydroxymethyl)-35-[[4-[(3,6,7,10,11-pentapentoxytriphenylen-2-yl)oxymethyl]triazol-1-yl]methyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol
  参考文献：
  名称：

  新型超分子液晶：基于点击化学的环糊精-三亚苯基柱液晶的合成

  摘要：

  三个新的环糊精-三亚苯衍生物6，图7a和7b中，设计并通过基于点击化学和环糊精单元的羟基基团的酰化进一步环糊精引入苯并菲单元合成。差示扫描量热仪（DSC），偏振光学显微镜（POM）和X射线衍射（XRD）首次观察到了环糊精-三亚苯基7a的柱液晶行为。

  DOI：

  10.1016/j.tetlet.2013.07.018

文献信息

• Novel supramolecular liquid crystals: cyclodextrin-triphenylene column liquid crystals based on click chemistry
  作者：Fafu Yang、Yingmei Zhang、Hongyu Guo

  DOI：10.1039/c3nj00474k

  日期：——

  Three new cyclodextrin-triphenylene derivatives 6, 7a and 7b were designed and synthesized by introducing a triphenylene unit into cyclodextrin based on click chemistry and further acylation of hydroxyl groups of the cyclodextrin unit. The column liquid crystal behaviour of cyclodextrin-triphenylene 7a was observed for the first time.

  三个新的环糊精-三亚苯衍生物6，图7a和7b中，设计并通过将三亚单元进入环糊精基质上点击化学和环糊精单元的羟基基团的酰化进一步合成。首次观察到环糊精-三亚苯基7a的柱液晶行为。