17,35-Bis(phenylmethoxy)-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 | 249925-35-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 17,35-Bis(phenylmethoxy)-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
• 英文别名: 17,35-bis(phenylmethoxy)-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
• CAS: 249925-35-7
• 化学式: C₄₂H₅₂O₁₂
• 分子量: 748.868
• InChiKey: GJAGSAKBRKRINV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  54
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  111
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  17,35-Bis(phenylmethoxy)-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 在 palladium on activated charcoal 氢气 、 四丁基碘化铵 、 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 120.0h， 生成 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 四丁基碘化铵 、 sodium hydride 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 240.0h， 生成 17,35-Bis(phenylmethoxy)-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
  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

• A New Cryptand:  Synthesis and Complexation with Paraquat
  作者：William S. Bryant、Jason W. Jones、Philip E. Mason、Ilia Guzei、Arnold L. Rheingold、Frank R. Fronczek、Devdatt S. Nagvekar、Harry W. Gibson

  DOI：10.1021/ol990780k

  日期：1999.10.1

  [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.