4-[3-[[5,11,17,23-Tetratert-butyl-26,27,28-tris[[6-(6-methylpyridin-2-yl)pyridin-2-yl]methoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaenyl]oxy]propoxy]aniline | 507487-28-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-[3-[[5,11,17,23-Tetratert-butyl-26,27,28-tris[[6-(6-methylpyridin-2-yl)pyridin-2-yl]methoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaenyl]oxy]propoxy]aniline
• CAS: 507487-28-7
• 化学式: C₈₉H₉₇N₇O₅
• 分子量: 1344.79
• InChiKey: RVYPGBAEOLRVFN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  20.1
• 重原子数：
  101
• 可旋转键数：
  22
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  150
• 氢给体数：
  1
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  三聚氯氰 、 4-[3-[[5,11,17,23-Tetratert-butyl-26,27,28-tris[[6-(6-methylpyridin-2-yl)pyridin-2-yl]methoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaenyl]oxy]propoxy]aniline 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 生成 4,6-dichloro-N-[4-[3-[[5,11,17,23-tetratert-butyl-26,27,28-tris[[6-(6-methylpyridin-2-yl)pyridin-2-yl]methoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaenyl]oxy]propoxy]phenyl]-1,3,5-triazin-2-amine
  参考文献：
  名称：

  A bifunctional calixarene designed for immobilisation on a natural polymer and for metal complexation

  摘要：

  The present work describes the multi-step synthesis of a new bifunctional calix[4]arene designed for grafting on natural polymeric materials, such as water-soluble dextrans, and for metal complexation. The podand was then anchored to the polymer by means of a cyanuric linker. The resulting material showed an interesting ability to complex copper(I), giving stable yellowish light orange solids and aqueous solutions. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)02203-7
• 作为产物：
  描述：

  C₈₉H₉₅N₇O₇ 在 tin(ll) chloride 作用下， 以 乙醇 为溶剂， 以64%的产率得到4-[3-[[5,11,17,23-Tetratert-butyl-26,27,28-tris[[6-(6-methylpyridin-2-yl)pyridin-2-yl]methoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaenyl]oxy]propoxy]aniline
  参考文献：
  名称：

  A bifunctional calixarene designed for immobilisation on a natural polymer and for metal complexation

  摘要：

  The present work describes the multi-step synthesis of a new bifunctional calix[4]arene designed for grafting on natural polymeric materials, such as water-soluble dextrans, and for metal complexation. The podand was then anchored to the polymer by means of a cyanuric linker. The resulting material showed an interesting ability to complex copper(I), giving stable yellowish light orange solids and aqueous solutions. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)02203-7