5-N,17-N-bis[2-[4-(2-aminoethoxy)phenoxy]ethyl]-25,26,27,28-tetrakis(2-ethoxyethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene-5,17-dicarboxamide | 1167434-16-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5-N,17-N-bis[2-[4-(2-aminoethoxy)phenoxy]ethyl]-25,26,27,28-tetrakis(2-ethoxyethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene-5,17-dicarboxamide
• CAS: 1167434-16-3
• 化学式: C₆₆H₈₄N₄O₁₄
• 分子量: 1157.41
• InChiKey: UQOWFMSQYLXFFH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  84
• 可旋转键数：
  36
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  221
• 氢给体数：
  4
• 氢受体数：
  16

反应信息

• 作为反应物：
  描述：

  3,5-吡啶二甲酰氯 、 5-N,17-N-bis[2-[4-(2-aminoethoxy)phenoxy]ethyl]-25,26,27,28-tetrakis(2-ethoxyethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene-5,17-dicarboxamide 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以50%的产率得到
  参考文献：
  名称：

  A [2]catenane containing an upper-rim functionalized calix[4]arene for anion recognition

  摘要：

  A novel [2]catenane is synthesized in good yield from an upper-rim functionalized calix[4]arene macro-bicycle and a nitro-substituted isophthalamide threading component in the presence of a chloride anion template via a ring-closing metathesis (RCM) reaction. After halide anion template removal the resulting catenane host exhibits a high degree of selectivity for chloride in competitive organic solvent mixtures. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.02.212
• 作为产物：
  描述：

  在 palladium 10% on activated carbon 、 氢气 作用下， 以 甲醇 、 氯仿 为溶剂， 以100%的产率得到5-N,17-N-bis[2-[4-(2-aminoethoxy)phenoxy]ethyl]-25,26,27,28-tetrakis(2-ethoxyethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene-5,17-dicarboxamide
  参考文献：
  名称：

  A [2]catenane containing an upper-rim functionalized calix[4]arene for anion recognition

  摘要：

  A novel [2]catenane is synthesized in good yield from an upper-rim functionalized calix[4]arene macro-bicycle and a nitro-substituted isophthalamide threading component in the presence of a chloride anion template via a ring-closing metathesis (RCM) reaction. After halide anion template removal the resulting catenane host exhibits a high degree of selectivity for chloride in competitive organic solvent mixtures. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.02.212

文献信息

• A [2]catenane containing an upper-rim functionalized calix[4]arene for anion recognition
  作者：Dale E. Phipps、Paul D. Beer

  DOI：10.1016/j.tetlet.2009.02.212

  日期：2009.7

  A novel [2]catenane is synthesized in good yield from an upper-rim functionalized calix[4]arene macro-bicycle and a nitro-substituted isophthalamide threading component in the presence of a chloride anion template via a ring-closing metathesis (RCM) reaction. After halide anion template removal the resulting catenane host exhibits a high degree of selectivity for chloride in competitive organic solvent mixtures. (C) 2009 Elsevier Ltd. All rights reserved.