mono-6-p-nitrobenzoyl-β-cyclodextrin

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: mono-6-p-nitrobenzoyl-β-cyclodextrin
• 英文别名: [(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)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,25,30,35-hexakis(hydroxymethyl)-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-10-yl]methyl 4-nitrobenzoate
• 化学式: C₄₉H₇₃NO₃₈
• 分子量: 1284.1
• InChiKey: QLJCHIXQJGMQBA-DBKPRUCDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -13
• 重原子数：
  88
• 可旋转键数：
  10
• 环数：
  22.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  606
• 氢给体数：
  20
• 氢受体数：
  38

反应信息

• 作为产物：
  描述：

  4-硝基苯甲酰氯 、 β-环糊精 在 吡啶 作用下， 反应 36.0h， 以18%的产率得到mono-6-p-nitrobenzoyl-β-cyclodextrin
  参考文献：
  名称：

  Photoinduced Electron Transfer in a Supramolecular Species Building of Mono-6-p-nitrobenzoyl-β-cyclodextrin with Naphthalene Derivatives

  摘要：

  Photoinduced electron transfer was observed in the supramolecular complexes of p-nitrobenzoyl-beta-cyclodextrin (NBCD) with a number of naphthalene derivatives, which were stabilized clearly via hydrophobic interactions in aqueous solution. Both steady-state and time-resolved fluorescence measurements were conducted, which revealed that there were two routes of electron transfer, i.e., electron transfer between the free donor and free acceptor in solution and electron transfer between the donor and acceptor bound in a supramolecular assembly. The evidence collected demonstrates that the latter route was very efficient. As a result, the rate and quantum yield of the fluorescence quenching in the present supramolecular system were appreciably large.

  DOI：

  10.1021/jo0108008