5,11,17,23-tetrakis(4-iodophenyl)-25,26,27,28-tetradecyloxycalix[4]arene | 850793-43-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 5,11,17,23-tetrakis(4-iodophenyl)-25,26,27,28-tetradecyloxycalix[4]arene
• 英文别名: 25,26,27,28-Tetrakis-decoxy-5,11,17,23-tetrakis(4-iodophenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene
• CAS: 850793-43-0
• 化学式: C₉₂H₁₁₆I₄O₄
• 分子量: 1793.55
• InChiKey: LJDKLRQQPCOYJN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  34.7
• 重原子数：
  100
• 可旋转键数：
  44
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  36.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5,11,17,23-tetrakis(4-iodophenyl)-25,26,27,28-tetradecyloxycalix[4]arene 、 4'-(hexylsulfanyl)biphenylboronic acid 在 palladium diacetate potassium carbonate 、 三(邻甲基苯基)磷 作用下， 以 甲醇 、 甲苯 为溶剂， 以92%的产率得到25,26,27,28-Tetrakis-decoxy-5,11,17,23-tetrakis[4-[4-(4-hexylsulfanylphenyl)phenyl]phenyl]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene
  参考文献：
  名称：

  Facile Synthesis of Oligophenylene-Substituted Calix[4]arenes and Their Enhanced Binding Properties

  摘要：

  A facile and efficient protocol for the synthesis of oligophenylene OPP(n)-substituted calix[4]arenes (with n up to 4) via iodo-substituted oligoarylcalix[4]arenes has been developed. The cooperation effect of the proximate fluoroionophores in hexylsulfanyl end-capped OPP(n)-substituted calix[4]arene assemblies leads to metal ion binding enhancement.

  DOI：

  10.1021/jo048545p
• 作为产物：
  描述：

  5,11,17,23-tetrakis(4-trimethylsilylphenyl)-25,26,27,28-tetradecyloxycalix[4]arene 在 碘 、 silver trifluoroacetate 作用下， 以 氯仿 为溶剂， 以76%的产率得到5,11,17,23-tetrakis(4-iodophenyl)-25,26,27,28-tetradecyloxycalix[4]arene
  参考文献：
  名称：

  Facile Synthesis of Oligophenylene-Substituted Calix[4]arenes and Their Enhanced Binding Properties

  摘要：

  A facile and efficient protocol for the synthesis of oligophenylene OPP(n)-substituted calix[4]arenes (with n up to 4) via iodo-substituted oligoarylcalix[4]arenes has been developed. The cooperation effect of the proximate fluoroionophores in hexylsulfanyl end-capped OPP(n)-substituted calix[4]arene assemblies leads to metal ion binding enhancement.

  DOI：

  10.1021/jo048545p