4-(4'-benzo-18-crown-6-sulfonamido)benzo-15-crown-5 | 244258-80-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-(4'-benzo-18-crown-6-sulfonamido)benzo-15-crown-5
• 英文别名: N-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene-20-sulfonamide
• CAS: 244258-80-8
• 化学式: C₃₀H₄₃NO₁₃S
• 分子量: 657.736
• InChiKey: BQSPENVPOXGJDU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.15
• 重原子数：
  45.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  147.7
• 氢给体数：
  1.0
• 氢受体数：
  13.0

反应信息

• 作为反应物：
  描述：

  L-苯丙氨酸 、 4-(4'-benzo-18-crown-6-sulfonamido)benzo-15-crown-5 以 四氢呋喃 为溶剂， 以60%的产率得到
  参考文献：
  名称：

  Functionalized derivatives of benzocrown-ethers, V multiple molecular recognition of zwitterionic phenylalanine

  摘要：

  The synthesis of the polytopic receptor 4-(4'-benzo- 18-crown-6-sulfonamido)benzo-15-crown-5 is reported. This polytopic receptor provides multiple molecular recognition of zwitterionic phenylalanine through different non-covalent bonds. Active membrane transport mechanisms by bulk liquid membranes of the phenylalanine are presented as a function of the co-transported alkali cation. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)00478-0
• 作为产物：
  描述：

  4'-氨基苯并-15-冠-5-醚 、 (monobenzo-18-crown-6)-4'-sulfonyl chloride 在 吡啶 作用下， 以 氯仿 为溶剂， 以83%的产率得到4-(4'-benzo-18-crown-6-sulfonamido)benzo-15-crown-5
  参考文献：
  名称：

  Functionalized derivatives of benzocrown-ethers, V multiple molecular recognition of zwitterionic phenylalanine

  摘要：

  The synthesis of the polytopic receptor 4-(4'-benzo- 18-crown-6-sulfonamido)benzo-15-crown-5 is reported. This polytopic receptor provides multiple molecular recognition of zwitterionic phenylalanine through different non-covalent bonds. Active membrane transport mechanisms by bulk liquid membranes of the phenylalanine are presented as a function of the co-transported alkali cation. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)00478-0