6,9,22,25-Tetraoxa-3,12,19,28-tetrazatricyclo[28.2.2.214,17]hexatriaconta-1(33),14,16,30(34),31,35-hexaene | 1260424-57-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 6,9,22,25-Tetraoxa-3,12,19,28-tetrazatricyclo[28.2.2.214,17]hexatriaconta-1(33),14,16,30(34),31,35-hexaene
• 英文别名: 6,9,22,25-tetraoxa-3,12,19,28-tetrazatricyclo[28.2.2.214,17]hexatriaconta-1(33),14,16,30(34),31,35-hexaene
• CAS: 1260424-57-4
• 化学式: C₂₈H₄₄N₄O₄
• 分子量: 500.682
• InChiKey: ZYFNYKDCXWISFI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  36
• 可旋转键数：
  0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  85
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  1,8-二氨基-3,6-二氧杂辛烷 、 对苯二甲醛 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 48.0h， 生成 6,9,22,25-Tetraoxa-3,12,19,28-tetrazatricyclo[28.2.2.214,17]hexatriaconta-1(33),14,16,30(34),31,35-hexaene 、
  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

文献信息

• Dynamic combinatorial libraries of macrocycles derived from phthalic aldehydes and α,ω-diamines
  作者：Magdalena Ceborska、Aldona Tarnowska、Krzysztof Ziach、Janusz Jurczak

  DOI：10.1016/j.tet.2010.10.011

  日期：2010.12

  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