7,10,13,29,32,35-Hexaoxa-3,17,25,39-tetrazatricyclo[39.3.1.119,23]hexatetraconta-1(45),2,17,19(46),20,22,24,39,41,43-decaene | 1260424-64-3

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 7,10,13,29,32,35-Hexaoxa-3,17,25,39-tetrazatricyclo[39.3.1.119,23]hexatetraconta-1(45),2,17,19(46),20,22,24,39,41,43-decaene
• CAS: 1260424-64-3
• 化学式: C₃₆H₅₂N₄O₆
• 分子量: 636.832
• InChiKey: HFJVFWGOOCZEJD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  46
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  105
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  间苯二甲醛 、 4,7,10-三氧-1,13-十三烷二胺 以 甲醇 为溶剂， 反应 48.0h， 生成 7,10,13-Trioxa-3,17-diazabicyclo[17.3.1]tricosa-1(23),2,17,19,21-pentaene 、 7,10,13,29,32,35-Hexaoxa-3,17,25,39-tetrazatricyclo[39.3.1.119,23]hexatetraconta-1(45),2,17,19(46),20,22,24,39,41,43-decaene 、 7,10,13,29,32,35,51,54,57-Nonaoxa-3,17,25,39,47,61-hexazatetracyclo[61.3.1.119,23.141,45]nonahexaconta-1(67),2,17,19(69),20,22,24,39,41,43,45(68),46,61,63,65-pentadecaene
  参考文献：
  名称：

  Dynamic combinatorial libraries of macrocycles derived from phthalic aldehydes and α,ω-diamines

  摘要：

  Dynamic combinatorial chemistry methodology was used to obtain eleven new polyazamacrocycles derived from isophthalic and terephthalic aldehyde and alpha omega-diamine Simple templates such as alkali metal salts were found to amplify large macrocycles 45-membered [3+3]hexaazacrown and 60-membered [4+4]octaazacrown Parent imine libraries were converted Into corresponding secondary libraries of amines using a fast reduction protocol Methyl carbamate protection of amine group allowed convenient isolation of polyazamacrocycles in very good yields (C) 2010 Elsevier Ltd All rights reserved

  DOI：

  10.1016/j.tet.2010.10.011