26-hydroxy-2,8,15,21-tetraoxa-5,18-diazatricyclo[20.3.1.0^9,14]hexacosa-1(25),9(14),10,12,22(26),23-hexaene-4,19-dione | 897936-40-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• 英文名称: 26-hydroxy-2,8,15,21-tetraoxa-5,18-diazatricyclo[20.3.1.0^9,14]hexacosa-1(25),9(14),10,12,22(26),23-hexaene-4,19-dione
• 英文别名: 8,12-Metheno-2H,8H,14H-1,7,13,19,4,16-benzotetraoxadiazacycloheneicosine-5,15(6H,16H)-dione, 3,4,17,18-tetrahydro-24-hydroxy-；26-hydroxy-2,8,15,21-tetraoxa-5,18-diazatricyclo[20.3.1.09,14]hexacosa-1(26),9,11,13,22,24-hexaene-4,19-dione
• CAS: 897936-40-2
• 化学式: C₂₀H₂₂N₂O₇
• 分子量: 402.404
• InChiKey: QZDJXENXDNTAMC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  29
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  115
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  26-hydroxy-2,8,15,21-tetraoxa-5,18-diazatricyclo[20.3.1.0^9,14]hexacosa-1(25),9(14),10,12,22(26),23-hexaene-4,19-dione 、 碘甲烷 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 24.0h， 以54%的产率得到26-methoxy-2,8,15,21-tetraoxa-5,18-diazatricyclo[20.3.1.0^9,14]hexacosa-1(25),9(14),10,12,22(26),23-hexaene-4,19-dione
  参考文献：
  名称：

  Structural studies and binding properties of pendant diazacoronands—precursors to macrocyclic compounds of planar chirality

  摘要：

  Structural studies of pendant diazacoronands having an N-benzoyl, N-acetyl, O-benzyl or O-benzoyl side arm were performed by means of X-ray and temperature-dependent H-1 NMR experiments. The energies of macroring flipping process were determined for three pendant diazacoronands. The complexation properties of pendant diazacoronands toward the alkali metal cations (Na+, K, and Rb+) were estimated by ESI-MS experiments. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.04.024
• 作为产物：
  描述：

  O-二(2-氨基乙氧基)苯 在 palladium on activated charcoal 氢气 、 sodium methylate 作用下， 以 甲醇 为溶剂， 生成 26-hydroxy-2,8,15,21-tetraoxa-5,18-diazatricyclo[20.3.1.0^9,14]hexacosa-1(25),9(14),10,12,22(26),23-hexaene-4,19-dione
  参考文献：
  名称：

  Structural studies and binding properties of pendant diazacoronands—precursors to macrocyclic compounds of planar chirality

  摘要：

  Structural studies of pendant diazacoronands having an N-benzoyl, N-acetyl, O-benzyl or O-benzoyl side arm were performed by means of X-ray and temperature-dependent H-1 NMR experiments. The energies of macroring flipping process were determined for three pendant diazacoronands. The complexation properties of pendant diazacoronands toward the alkali metal cations (Na+, K, and Rb+) were estimated by ESI-MS experiments. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.04.024