| 195990-10-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 195990-10-4
• 化学式: C₁₀H₈O₂*C₄₂H₇₀O₃₅
• 分子量: 1295.17
• InChiKey: SIKLFJAMANGNSC-ZQOBQRRWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -12.98
• 重原子数：
  89.0
• 可旋转键数：
  7.0
• 环数：
  23.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  594.51
• 氢给体数：
  23.0
• 氢受体数：
  37.0

反应信息

• 作为产物：
  描述：

  2,6-萘二酚 、 β-环糊精 以 水 为溶剂， 反应 20.0h， 以43%的产率得到
  参考文献：
  名称：

  Inclusion complexes of β-cyclodextrin with dihydroxyphenols of various nature

  摘要：

  The ways for the practical preparation of stable inclusion complexes of beta-cyclodextrin with dihydroxyphenols of various nature are developed. Mutual orientation of hydroxy groups and the nature of the bridge in the bisphenols are shown to affect considerably their ability to the complex formation.

  DOI：

  10.1134/s1070363209090102

文献信息

• A Heterowheel [3]Pseudorotaxane by Integrating β-Cyclodextrin and Cucurbit[8]uril Inclusion Complexes
  作者：Zhi-Jun Ding、Heng-Yi Zhang、Li-Hua Wang、Fei Ding、Yu Liu

  DOI：10.1021/ol1028767

  日期：2011.3.4

  A heterowheel [3]pseudorotaxane was prepared by integrating two binary inclusion complexes of beta-cyclodextrin-hydroxynaphthalene (beta-CD .3) with a cucurbit[8]uril-viologen derivative (CB[8] .2), in which simultaneous molecular recognition of the adamantine moiety in 2 by beta-CD and the charge-transfer interaction of 3 with the viologen nucleus of 2 in the cavity of CB[8] are two crucial factors for the formation of the quaternary complex.