6,9,23,26-Tetrazaheptacyclo[29.3.1.114,18.05,34.010,15.017,22.027,32]hexatriaconta-1(35),2,4,10,12,14(36),15,17,19,21,27,29,31,33-tetradecaene-7,25-dione | 1338490-63-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 6,9,23,26-Tetrazaheptacyclo[29.3.1.114,18.05,34.010,15.017,22.027,32]hexatriaconta-1(35),2,4,10,12,14(36),15,17,19,21,27,29,31,33-tetradecaene-7,25-dione
• 英文别名: 6,9,23,26-tetrazaheptacyclo[29.3.1.114,18.05,34.010,15.017,22.027,32]hexatriaconta-1(35),2,4,10,12,14(36),15,17,19,21,27,29,31,33-tetradecaene-7,25-dione
• CAS: 1338490-63-3
• 化学式: C₃₂H₂₄N₄O₂
• 分子量: 496.568
• InChiKey: WWAVJROAJAQDAZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  38
• 可旋转键数：
  0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  82.3
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6,9,23,26-Tetrazaheptacyclo[29.3.1.114,18.05,34.010,15.017,22.027,32]hexatriaconta-1(35),2,4,10,12,14(36),15,17,19,21,27,29,31,33-tetradecaene-7,25-dione 、 四丁基磷酸氢铵 以 氘代二甲亚砜 为溶剂， 生成
  参考文献：
  名称：

  A new macrocyclic anion receptor utilizing amide, amine, and 9-anthracenyl hydrogens

  摘要：

  We have developed a new macrocyclic anion receptor 2 utilizing two amide hydrogens, two amine hydrogens and 9-anthracenyl hydrogen to bind anions. As the binding cavity formed from these hydrogens is pre-organized and its size is different from that of the previously reported receptor 1 due to its cyclization, the affinity of the receptor 2 for the anion is somewhat different from that of the receptor 1. The receptor 2 binds anions through hydrogen bonds with a selectivity of H2PO4- > CH3CO2- > F- > C6H5CO2- > Cl- > Br- > l(-) while the receptor 1 binds anions with a selectivity of CH3CO2- > H2PO4- > C6H5CO2- > HSO4- > ClO4- > NO3-. (C) 2011 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2011.08.022
• 作为产物：
  描述：

  1,8-diaminoanthracene 在 碳酸氢钠 、 三乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 6,9,23,26-Tetrazaheptacyclo[29.3.1.114,18.05,34.010,15.017,22.027,32]hexatriaconta-1(35),2,4,10,12,14(36),15,17,19,21,27,29,31,33-tetradecaene-7,25-dione
  参考文献：
  名称：

  A new macrocyclic anion receptor utilizing amide, amine, and 9-anthracenyl hydrogens

  摘要：

  We have developed a new macrocyclic anion receptor 2 utilizing two amide hydrogens, two amine hydrogens and 9-anthracenyl hydrogen to bind anions. As the binding cavity formed from these hydrogens is pre-organized and its size is different from that of the previously reported receptor 1 due to its cyclization, the affinity of the receptor 2 for the anion is somewhat different from that of the receptor 1. The receptor 2 binds anions through hydrogen bonds with a selectivity of H2PO4- > CH3CO2- > F- > C6H5CO2- > Cl- > Br- > l(-) while the receptor 1 binds anions with a selectivity of CH3CO2- > H2PO4- > C6H5CO2- > HSO4- > ClO4- > NO3-. (C) 2011 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2011.08.022

文献信息

• A new macrocyclic anion receptor utilizing amide, amine, and 9-anthracenyl hydrogens
  作者：Sung Kyu Lee、Jongmin Kang

  DOI：10.1016/j.tetlet.2011.08.022

  日期：2011.10

  We have developed a new macrocyclic anion receptor 2 utilizing two amide hydrogens, two amine hydrogens and 9-anthracenyl hydrogen to bind anions. As the binding cavity formed from these hydrogens is pre-organized and its size is different from that of the previously reported receptor 1 due to its cyclization, the affinity of the receptor 2 for the anion is somewhat different from that of the receptor 1. The receptor 2 binds anions through hydrogen bonds with a selectivity of H2PO4- > CH3CO2- > F- > C6H5CO2- > Cl- > Br- > l(-) while the receptor 1 binds anions with a selectivity of CH3CO2- > H2PO4- > C6H5CO2- > HSO4- > ClO4- > NO3-. (C) 2011 Published by Elsevier Ltd.