(6I-deoxy-6I-{4-[4-(4'-propargyloxyphenylazo)phenoxymethyl]-1H-1,2,3-triazol-1-yl})cyclomaltoheptaose | 1093098-66-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (6I-deoxy-6I-{4-[4-(4'-propargyloxyphenylazo)phenoxymethyl]-1H-1,2,3-triazol-1-yl})cyclomaltoheptaose
• 英文别名: (6^I-deoxy-6^I-{4-[4-(4'-propargyloxyphenylazo)phenoxymethyl]-1H-1,2,3-triazol-1-yl})cyclomaltoheptaose
• CAS: 1093098-66-8
• 化学式: C₆₀H₈₃N₅O₃₆
• 分子量: 1450.33
• InChiKey: CWXCCOBQLRRUIN-BALGXSKGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -10.92
• 重原子数：
  101.0
• 可旋转键数：
  15.0
• 环数：
  24.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  607.71
• 氢给体数：
  20.0
• 氢受体数：
  41.0

反应信息

• 作为产物：
  描述：

  4,4'-di(propargyloxy)azobenzene 、 6A-叠氮基-6A-脱氧-β-环糊精 在 triethylphosphite copper(I) iodide complex 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 以72%的产率得到4,4'-bis{[1-(6I-deoxy-cyclomaltoheptaosyl)-1H-1,2,3-triazol-4-yl]methyloxy}azobenzene
  参考文献：
  名称：

  Synthesis of β-cyclodextrin derivatives functionalized with azobenzene

  摘要：

  Two approaches for the synthesis of beta-cyclodextrin and bis(beta-cyclodextrin) bearing azobenzene on the primary face are reported. First, the nucleophilic substitution of mono-6-tosyl-beta-cyclodextrin by azobenzene anion derivatives was reinvestigated and found to produce mono-3,6-anhydro-beta-cyclodextrin as a side product. A slight modification of the reported reaction conditions including the use of Cs2CO3 led to a substantial improvement of the yields. In addition, a convenient method based on the application of click chemistry led to 1,2,3-triazole-linked azobenzene-cyclodextrin derivatives in good yields. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.08.098