5,7,21,23-Tetrapentoxy-2,10,18,26-tetraoxa-3lambda6,9lambda6,19lambda6,25lambda6-tetrathiaheptacyclo[25.5.3.311,17.14,8.120,24.030,34.014,38]tetraconta-1(33),4(40),5,7,11(39),12,14(38),15,17(37),20,22,24(36),27(35),28,30(34),31-hexadecaene 3,3,9,9,19,19,25,25-octaoxide | 1116341-21-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 5,7,21,23-Tetrapentoxy-2,10,18,26-tetraoxa-3lambda6,9lambda6,19lambda6,25lambda6-tetrathiaheptacyclo[25.5.3.311,17.14,8.120,24.030,34.014,38]tetraconta-1(33),4(40),5,7,11(39),12,14(38),15,17(37),20,22,24(36),27(35),28,30(34),31-hexadecaene 3,3,9,9,19,19,25,25-octaoxide
• 英文别名: 5,7,21,23-tetrapentoxy-2,10,18,26-tetraoxa-3λ6,9λ6,19λ6,25λ6-tetrathiaheptacyclo[25.5.3.311,17.14,8.120,24.030,34.014,38]tetraconta-1(33),4(40),5,7,11(39),12,14(38),15,17(37),20,22,24(36),27(35),28,30(34),31-hexadecaene 3,3,9,9,19,19,25,25-octaoxide
• CAS: 1116341-21-9
• 化学式: C₅₂H₆₀O₁₆S₄
• 分子量: 1069.3
• InChiKey: PAUKROFBEKYHDL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.9
• 重原子数：
  72
• 可旋转键数：
  20
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.38
• 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-Bis-pentyloxy-benzene-1,3-disulfonyl dichloride 、 2,7-二羟基萘 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 30.0h， 以13.2%的产率得到5,7,21,23-Tetrapentoxy-2,10,18,26-tetraoxa-3lambda6,9lambda6,19lambda6,25lambda6-tetrathiaheptacyclo[25.5.3.311,17.14,8.120,24.030,34.014,38]tetraconta-1(33),4(40),5,7,11(39),12,14(38),15,17(37),20,22,24(36),27(35),28,30(34),31-hexadecaene 3,3,9,9,19,19,25,25-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