43,44,45,46,47,48-Hexamethoxy-6,13,20,27,34,41-hexaoctoxy-2,9,16,23,30,37-hexazaheptacyclo[37.3.1.14,8.111,15.118,22.125,29.132,36]octatetraconta-1(42),2,4(48),5,7,9,11(47),12,14,16,18(46),19,21,23,25(45),26,28,30,32(44),33,35,37,39(43),40-tetracosaene-3,10,17,24,31,38-hexol | 1581756-65-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 43,44,45,46,47,48-Hexamethoxy-6,13,20,27,34,41-hexaoctoxy-2,9,16,23,30,37-hexazaheptacyclo[37.3.1.14,8.111,15.118,22.125,29.132,36]octatetraconta-1(42),2,4(48),5,7,9,11(47),12,14,16,18(46),19,21,23,25(45),26,28,30,32(44),33,35,37,39(43),40-tetracosaene-3,10,17,24,31,38-hexol
• 英文别名: 43,44,45,46,47,48-hexamethoxy-6,13,20,27,34,41-hexaoctoxy-2,9,16,23,30,37-hexazaheptacyclo[37.3.1.14,8.111,15.118,22.125,29.132,36]octatetraconta-1(42),2,4(48),5,7,9,11(47),12,14,16,18(46),19,21,23,25(45),26,28,30,32(44),33,35,37,39(43),40-tetracosaene-3,10,17,24,31,38-hexol
• CAS: 1581756-65-1
• 化学式: C₉₆H₁₃₈N₆O₁₈
• 分子量: 1664.18
• InChiKey: JCXDNLQZHDQQFL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  25.2
• 重原子数：
  120
• 可旋转键数：
  54
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  285
• 氢给体数：
  6
• 氢受体数：
  18

反应信息

• 作为产物：
  描述：

  methyl 3-amino-2-methoxy-5-octyloxybenzoate 在 三甲基铝 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 以12%的产率得到43,44,45,46,47,48-Hexamethoxy-6,13,20,27,34,41-hexaoctoxy-2,9,16,23,30,37-hexazaheptacyclo[37.3.1.14,8.111,15.118,22.125,29.132,36]octatetraconta-1(42),2,4(48),5,7,9,11(47),12,14,16,18(46),19,21,23,25(45),26,28,30,32(44),33,35,37,39(43),40-tetracosaene-3,10,17,24,31,38-hexol
  参考文献：
  名称：

  An unusual macrocyclization reagent for highly selective one-pot synthesis of strained macrocyclic aromatic hexamers

  摘要：

  一锅法多分子大环化反应可以高度选择性地制备由向内连续氢键网络稳定的紧张大环六聚体。

  DOI：

  10.1039/c3cc48576e

文献信息

• An unusual macrocyclization reagent for highly selective one-pot synthesis of strained macrocyclic aromatic hexamers
  作者：Haoliang Fu、Hu Chang、Jie Shen、Lin Yu、Bo Qin、Kun Zhang、Huaqiang Zeng

  DOI：10.1039/c3cc48576e

  日期：——

  One-pot, multi-molecular macrocyclization allows the highly selective preparation of strained macrocyclic hexamers stabilized by an inward-pointing continuous hydrogen-bonding network.

  一锅法多分子大环化反应可以高度选择性地制备由向内连续氢键网络稳定的紧张大环六聚体。