2,5,8,11,14,20,23,26,29,32-Decaoxatricyclo[31.3.1.115,19]octatriaconta-1(37),15(38),16,18,33,35-hexaene-17,35-diol | 249925-31-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,5,8,11,14,20,23,26,29,32-Decaoxatricyclo[31.3.1.115,19]octatriaconta-1(37),15(38),16,18,33,35-hexaene-17,35-diol
• 英文别名: 2,5,8,11,14,20,23,26,29,32-decaoxatricyclo[31.3.1.115,19]octatriaconta-1(37),15(38),16,18,33,35-hexaene-17,35-diol
• CAS: 249925-31-3
• 化学式: C₂₈H₄₀O₁₂
• 分子量: 568.618
• InChiKey: DRRDFAOALNZSDE-UHFFFAOYSA-N

物化性质

• 沸点：
  784.8±60.0 °C(Predicted)
• 密度：
  1.139±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  40
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  133
• 氢给体数：
  2
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  2,5,8,11,14,20,23,26,29,32-Decaoxatricyclo[31.3.1.115,19]octatriaconta-1(37),15(38),16,18,33,35-hexaene-17,35-diol 、 四乙二醇二对甲苯磺酸酯 在 四丁基碘化铵 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 120.0h， 以38%的产率得到bis(1,3,5-triphenylene)tri(1,4,7,10,13-pentaoxatridecyl)
  参考文献：
  名称：

  A New Cryptand:  Synthesis and Complexation with Paraquat

  摘要：

  [GRAPHICS]Inspired by folded, nonpseudorotaxane complexes of bis(m-phenylene) 32-crown-10 systems, we synthesized a new bicyclic crown ether containing two 1,3,5-phenylene units linked by three tetra(ethyleneoxy) units. The new cryptand forms a "pseudorotaxane-like" inclusion complex with N,N'-dimethyl-4,4'-bipyridinium bis(hexafluorophosphate) with association constant K-a = 6.1 x 10(4) M-1, 100-fold greater than that of an analogous simple crown ether.

  DOI：

  10.1021/ol990780k
• 作为产物：
  描述：

  双[2-(2-氯化乙氧基)乙基]醚 在 palladium on activated charcoal 氢气 、 四丁基碘化铵 、 sodium hydride 、 potassium carbonate 作用下， 以 二氯甲烷 、 氯仿 、 N,N-二甲基甲酰胺 为溶剂， 反应 240.0h， 生成 2,5,8,11,14,20,23,26,29,32-Decaoxatricyclo[31.3.1.115,19]octatriaconta-1(37),15(38),16,18,33,35-hexaene-17,35-diol
  参考文献：
  名称：

  A New Cryptand:  Synthesis and Complexation with Paraquat

  摘要：

  [GRAPHICS]Inspired by folded, nonpseudorotaxane complexes of bis(m-phenylene) 32-crown-10 systems, we synthesized a new bicyclic crown ether containing two 1,3,5-phenylene units linked by three tetra(ethyleneoxy) units. The new cryptand forms a "pseudorotaxane-like" inclusion complex with N,N'-dimethyl-4,4'-bipyridinium bis(hexafluorophosphate) with association constant K-a = 6.1 x 10(4) M-1, 100-fold greater than that of an analogous simple crown ether.

  DOI：

  10.1021/ol990780k

文献信息

• Remarkably improved complexation of a bisparaquat by formation of a pseudocryptand-based [3]pseudorotaxane
  作者：Feihe Huang、Ilia A. Guzei、Jason W. JonesPresent address: DuPont Chemic、Harry W. Gibson

  DOI：10.1039/b417661h

  日期：——

  Significant improvement of complexation of a bisparaquat guest was achieved by the formation of a pseudocryptand-based [3]pseudorotaxane.

  通过形成基于伪配体-3的伪罗塔克烷，显著提高了双吡啶鎓客体的络合能力。