9,11,26,28-Tetrapentoxy-6,14,23,31-tetraoxa-7lambda6,13lambda6,24lambda6,30lambda6-tetrathiaheptacyclo[30.2.2.22,5.215,18.219,22.18,12.125,29]tetratetraconta-1(35),2(44),3,5(43),8(42),9,11,15,17,19(39),20,22(38),25,27,29(37),32(36),33,40-octadecaene 7,7,13,13,24,24,30,30-octaoxide | 1116341-23-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 9,11,26,28-Tetrapentoxy-6,14,23,31-tetraoxa-7lambda6,13lambda6,24lambda6,30lambda6-tetrathiaheptacyclo[30.2.2.22,5.215,18.219,22.18,12.125,29]tetratetraconta-1(35),2(44),3,5(43),8(42),9,11,15,17,19(39),20,22(38),25,27,29(37),32(36),33,40-octadecaene 7,7,13,13,24,24,30,30-octaoxide
• 英文别名: 9,11,26,28-tetrapentoxy-6,14,23,31-tetraoxa-7λ6,13λ6,24λ6,30λ6-tetrathiaheptacyclo[30.2.2.22,5.215,18.219,22.18,12.125,29]tetratetraconta-1(35),2(44),3,5(43),8(42),9,11,15,17,19(39),20,22(38),25,27,29(37),32(36),33,40-octadecaene 7,7,13,13,24,24,30,30-octaoxide
• CAS: 1116341-23-1
• 化学式: C₅₆H₆₄O₁₆S₄
• 分子量: 1121.38
• InChiKey: IDGJNSOQPNTKEC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.7
• 重原子数：
  76
• 可旋转键数：
  20
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.36
• 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 、 4,4'-二羟基联苯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以23.5%的产率得到9,11,26,28-Tetrapentoxy-6,14,23,31-tetraoxa-7lambda6,13lambda6,24lambda6,30lambda6-tetrathiaheptacyclo[30.2.2.22,5.215,18.219,22.18,12.125,29]tetratetraconta-1(35),2(44),3,5(43),8(42),9,11,15,17,19(39),20,22(38),25,27,29(37),32(36),33,40-octadecaene 7,7,13,13,24,24,30,30-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.