9-bromo-(N-3-pyridyl)nonamide | 1063777-36-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 9-bromo-(N-3-pyridyl)nonamide
• CAS: 1063777-36-5
• 化学式: C₁₄H₂₁BrN₂O
• 分子量: 313.238
• InChiKey: WTBYDOTWTCRIGJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.15
• 重原子数：
  18.0
• 可旋转键数：
  9.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  41.99
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  9-bromo-(N-3-pyridyl)nonamide 、 1-methyl-4,4'-bipyridinium hexafluorophosphate 以 乙腈 为溶剂， 反应 336.0h， 以4%的产率得到
  参考文献：
  名称：

  Construction of supramolecular multi-component assemblies by using allosteric interactions

  摘要：

  Supramolecular complexes between two cavity-appended porphyrin hosts and three bifunctional guests are described. The host with a single cavity exclusively forms dimers with the bifunctional guests, while the double cavity host yields tetramers and higher order assemblies. The role of allosteric interactions IS in the binding and assembly process is highlighted. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.05.139
• 作为产物：
  描述：

  3-氨基吡啶 、 9-bromononanoyl chloride 以 乙醚 为溶剂， 以0.4 g的产率得到9-bromo-(N-3-pyridyl)nonamide
  参考文献：
  名称：

  Construction of supramolecular multi-component assemblies by using allosteric interactions

  摘要：

  Supramolecular complexes between two cavity-appended porphyrin hosts and three bifunctional guests are described. The host with a single cavity exclusively forms dimers with the bifunctional guests, while the double cavity host yields tetramers and higher order assemblies. The role of allosteric interactions IS in the binding and assembly process is highlighted. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.05.139