| 1111095-28-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• CAS: 1111095-28-3
• 化学式: C₁₄H₁₅N*C₂₇H₂₉N₃O₅*F₆P*H
• 分子量: 818.796
• InChiKey: SJTNTNRDBGXEBO-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  9.48
• 重原子数：
  57.0
• 可旋转键数：
  4.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  110.81
• 氢给体数：
  3.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  18,21,24-Trioxa-3,11,33-triazatetracyclo[24.2.2.213,16.15,9]tritriaconta-1(29),5(33),6,8,13,15,26(30),27,31-nonaene-4,10-dione 、 dibenzylammonium hexafluorophosphate 生成
  参考文献：
  名称：

  Two [2]pseudorotaxane-like complexes and their corresponding [2]rotaxanes stabilized via interactions on opposite ends of the same macrocycle

  摘要：

  A multiple-use macrocycle recognizes dibenzylammonium ions and 2,6-lutidine derivatives, each in a [2]pseudorotaxane-like manner, through interactions with its diethylene glycol (hydrogen bonding) and 2,6-pyridinedicarboxamide (Pd2+ chelation) spacers, respectively. We characterized these complexes in the solid state (X-ray crystallography) and in solution (H-1 NMR spectroscopy). The synthesis of two corresponding [2]rotaxanes confirmed that these recognition systems possess [2]pseudorotaxane geometries in solution. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.10.153