33-Hydroxy-3-methyl-4-oxa-16,23-diazahexacyclo[23.7.1.13,6.05,14.07,12.027,32]tetratriaconta-1(33),5,7,9,11,13,25,27,29,31-decaene-15,24-dione | 1022349-63-8

• 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: 33-Hydroxy-3-methyl-4-oxa-16,23-diazahexacyclo[23.7.1.13,6.05,14.07,12.027,32]tetratriaconta-1(33),5,7,9,11,13,25,27,29,31-decaene-15,24-dione
• 英文别名: 33-hydroxy-3-methyl-4-oxa-16,23-diazahexacyclo[23.7.1.13,6.05,14.07,12.027,32]tetratriaconta-1(33),5,7,9,11,13,25,27,29,31-decaene-15,24-dione
• CAS: 1022349-63-8
• 化学式: C₃₂H₃₂N₂O₄
• 分子量: 508.617
• InChiKey: ABXDAZCZXCJEOP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  38
• 可旋转键数：
  0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  87.7
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-Methylidene-2,6-dioxa-18,25-diazapentacyclo[25.8.0.07,16.09,14.029,34]pentatriaconta-1(35),7,9,11,13,15,27,29,31,33-decaene-17,26-dione 反应 1.0h， 以100%的产率得到33-Hydroxy-3-methyl-4-oxa-16,23-diazahexacyclo[23.7.1.13,6.05,14.07,12.027,32]tetratriaconta-1(33),5,7,9,11,13,25,27,29,31-decaene-15,24-dione
  参考文献：
  名称：

  Controllable synthesis, structures of amidecrownophane-type macrocycles and their binding ability toward anions

  摘要：

  Amidecrownophane-type macrocycles with different number of hydroxy groups were prepared in quantitative yields by control of the conditions of thermal reaction with the aim to examine the role of hydroxy groups in anion recognition. It was proved that the hydroxy group played a critical role in anion binding for this type of macrocycles and the anion binding affinity could be tuned by different number of hydroxy groups. Further exploration clarified the presence of intramolecular hydrogen-bonding and exhibited the major effect on their anion binding potential. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.02.019

文献信息

• Controllable synthesis, structures of amidecrownophane-type macrocycles and their binding ability toward anions
  作者：Wei-tao Gong、Junichi Harigae、Joobeom Seo、Shim Sung Lee、Kazuhisa Hiratani

  DOI：10.1016/j.tetlet.2008.02.019

  日期：2008.3

  Amidecrownophane-type macrocycles with different number of hydroxy groups were prepared in quantitative yields by control of the conditions of thermal reaction with the aim to examine the role of hydroxy groups in anion recognition. It was proved that the hydroxy group played a critical role in anion binding for this type of macrocycles and the anion binding affinity could be tuned by different number of hydroxy groups. Further exploration clarified the presence of intramolecular hydrogen-bonding and exhibited the major effect on their anion binding potential. (C) 2008 Elsevier Ltd. All rights reserved.