hexamethyl 6,16,26-trioxa-3,9,13,19,23,29-hexaaza-1,11,21(1,3)-tribenzenacyclotriacontaphane-3,9,13,19,23,29-hexacarboxylate | 1260424-49-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: hexamethyl 6,16,26-trioxa-3,9,13,19,23,29-hexaaza-1,11,21(1,3)-tribenzenacyclotriacontaphane-3,9,13,19,23,29-hexacarboxylate
• CAS: 1260424-49-4
• 化学式: C₄₈H₆₆N₆O₁₅
• 分子量: 967.083
• InChiKey: RKAFFFQRGIAXPQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.56
• 重原子数：
  69.0
• 可旋转键数：
  0.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  204.93
• 氢给体数：
  0.0
• 氢受体数：
  15.0

反应信息

• 作为产物：
  描述：

  、 氯甲酸甲酯 在 三乙胺 作用下， 以 甲醇 为溶剂， 反应 24.0h， 生成 hexamethyl 6,16,26-trioxa-3,9,13,19,23,29-hexaaza-1,11,21(1,3)-tribenzenacyclotriacontaphane-3,9,13,19,23,29-hexacarboxylate
  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