5,7,19,21-Tetrapropoxy-2,10,16,24-tetraoxa-3lambda6,9lambda6,17lambda6,23lambda6-tetrathiapentacyclo[23.3.1.14,8.111,15.118,22]dotriaconta-1(29),4(32),5,7,11(31),12,14,18,20,22(30),25,27-dodecaene 3,3,9,9,17,17,23,23-octaoxide | 1116341-17-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5,7,19,21-Tetrapropoxy-2,10,16,24-tetraoxa-3lambda6,9lambda6,17lambda6,23lambda6-tetrathiapentacyclo[23.3.1.14,8.111,15.118,22]dotriaconta-1(29),4(32),5,7,11(31),12,14,18,20,22(30),25,27-dodecaene 3,3,9,9,17,17,23,23-octaoxide
• 英文别名: 5,7,19,21-tetrapropoxy-2,10,16,24-tetraoxa-3λ6,9λ6,17λ6,23λ6-tetrathiapentacyclo[23.3.1.14,8.111,15.118,22]dotriaconta-1(29),4(32),5,7,11(31),12,14,18,20,22(30),25,27-dodecaene 3,3,9,9,17,17,23,23-octaoxide
• CAS: 1116341-17-3
• 化学式: C₃₆H₄₀O₁₆S₄
• 分子量: 856.968
• InChiKey: ZANRRQMCIWQWFN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.9
• 重原子数：
  56
• 可旋转键数：
  12
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  244
• 氢给体数：
  0
• 氢受体数：
  16

反应信息

• 作为产物：
  描述：

  4,6-dipropyloxy-1,3-benzenedisulfonyl chloride 、 间苯二酚 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 30.0h， 以21.6%的产率得到5,7,19,21-Tetrapropoxy-2,10,16,24-tetraoxa-3lambda6,9lambda6,17lambda6,23lambda6-tetrathiapentacyclo[23.3.1.14,8.111,15.118,22]dotriaconta-1(29),4(32),5,7,11(31),12,14,18,20,22(30),25,27-dodecaene 3,3,9,9,17,17,23,23-octaoxide
  参考文献：
  名称：

  One-Pot Formation and Characterization of Macrocyclic Aromatic Tetrasulfonates

  摘要：

  Aromatic tetrasulfonate macrocycles were prepared in one pot by treating arenedisulfonyl chlorides with dihydroxyarenes. X-ray structures revealed that these cyclic molecules have noncollapsible cavities and well-defined conformations resembling the cone and partial cone conformations of calix[4]arenes. Incorporating aromatic residues of different sizes leads to macrocycles with different cavity sizes.

  DOI：

  10.1021/ol8028884

文献信息

• One-Pot Formation and Characterization of Macrocyclic Aromatic Tetrasulfonates
  作者：Mingwei Geng、Dechun Zhang、Xiangxiang Wu、Lan He、Bing Gong

  DOI：10.1021/ol8028884

  日期：2009.2.19

  Aromatic tetrasulfonate macrocycles were prepared in one pot by treating arenedisulfonyl chlorides with dihydroxyarenes. X-ray structures revealed that these cyclic molecules have noncollapsible cavities and well-defined conformations resembling the cone and partial cone conformations of calix[4]arenes. Incorporating aromatic residues of different sizes leads to macrocycles with different cavity sizes.