2,4,10,12,18,20,26,28,33,34,35,36-Dodecazapentacyclo[27.3.1.15,9.113,17.121,25]hexatriaconta-1(33),5(36),6,8,13(35),14,16,21,23,25(34),29,31-dodecaene-3,11,19,27-tetrone | 1404065-93-5

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 2,4,10,12,18,20,26,28,33,34,35,36-Dodecazapentacyclo[27.3.1.15,9.113,17.121,25]hexatriaconta-1(33),5(36),6,8,13(35),14,16,21,23,25(34),29,31-dodecaene-3,11,19,27-tetrone
• CAS: 1404065-93-5
• 化学式: C₂₄H₂₀N₁₂O₄
• 分子量: 540.501
• InChiKey: BAFXRYQFAQQFIR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  40
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  216
• 氢给体数：
  8
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2,6-二氨基吡啶 以 四氢呋喃 、 二甲基亚砜 为溶剂， 反应 4.0h， 生成 2,4,10,12,18,20,26,28,33,34,35,36-Dodecazapentacyclo[27.3.1.15,9.113,17.121,25]hexatriaconta-1(33),5(36),6,8,13(35),14,16,21,23,25(34),29,31-dodecaene-3,11,19,27-tetrone
  参考文献：
  名称：

  Formation of Oligomeric and Macrocyclic Ureas Based on 2,6-Diaminopyridine

  摘要：

  The conversion of 1,3-bis-(6-amino-pyridin-2yl)-urea (1) with N',N'-carbonyldiimidazole at high temperatures in DMSO yielded a mixture of defined cyclic trimers and tetramers. On the basis of model reactions, exchange reactions were evidenced, which convert the cyclic tetramer into a stable cyclic trimer. Linear even numbered oligomers were obtained in acetone under reflux where side reactions were suppressed. The pronounced tendency of cyclization is attributed to a preferred folded conformation of the urea bond between two pyridyl units.

  DOI：

  10.1021/jo3015598