22-methoxy-2,8,11,17-tetraoxa-5,14-diaza-bicyclo[16.3.1]docosa-1(21),18(22),19-triene-4,15-dione | 108306-42-9

• 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: 22-methoxy-2,8,11,17-tetraoxa-5,14-diaza-bicyclo[16.3.1]docosa-1(21),18(22),19-triene-4,15-dione
• 英文别名: 22-Methoxy-2,8,11,17-tetraoxa-5,14-diazabicyclo[16.3.1]docosa-1(22),18,20-triene-4,15-dione
• CAS: 108306-42-9
• 化学式: C₁₇H₂₄N₂O₇
• 分子量: 368.387
• InChiKey: DULPFKJPISACGZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  26
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  104
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  22-methoxy-2,8,11,17-tetraoxa-5,14-diaza-bicyclo[16.3.1]docosa-1(21),18(22),19-triene-4,15-dione 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 20.0h， 以79%的产率得到2,8,11,17-Tetraoxa-5,14-diaza-bicyclo[16.3.1]docosa-1(21),18(22),19-trien-22-ol
  参考文献：
  名称：

  Czech, Anna; Czech, Bronislaw P.; Desai, Dhimant H., Journal of Heterocyclic Chemistry, 1986, vol. 23, p. 1355 - 1358

  摘要：

  DOI：
• 作为产物：
  描述：

  1,8-二氨基-3,6-二氧杂辛烷 在 palladium on activated charcoal 氢气 、 sodium methylate 、 potassium carbonate 作用下， 以 甲醇 、 乙腈 为溶剂， 反应 24.0h， 生成 22-methoxy-2,8,11,17-tetraoxa-5,14-diaza-bicyclo[16.3.1]docosa-1(21),18(22),19-triene-4,15-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

文献信息

• Czech, Anna; Czech, Bronislaw P.; Desai, Dhimant H., Journal of Heterocyclic Chemistry, 1986, vol. 23, p. 1355 - 1358
  作者：Czech, Anna、Czech, Bronislaw P.、Desai, Dhimant H.、Hallman, Johnny L.、Phillips, John B.、Bartsch, Richard A.

  DOI：——

  日期：——
• Structural studies and binding properties of pendant diazacoronands—precursors to macrocyclic compounds of planar chirality
  作者：Jarosław Kalisiak、Ewa Kalisiak、Janusz Jurczak

  DOI：10.1016/j.tet.2006.04.024

  日期：2006.6

  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.