5,10,15-tris(4-pyridyl)-20-[4-(octadecyloxy)phenyl]-21H,23H-porphine | 81016-99-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四吡咯及其衍生物
• 英文名称: 5,10,15-tris(4-pyridyl)-20-[4-(octadecyloxy)phenyl]-21H,23H-porphine
• 英文别名: 5,10,15-tris(4-pyridyl)-20-<4-(octadecyloxy)phenyl>-21H,23H-porphine
• CAS: 81016-99-1
• 化学式: C₅₉H₆₃N₇O
• 分子量: 886.196
• InChiKey: WKWZHVKHTJAXHI-PLRCTEELSA-N

物化性质

• 密度：
  1.143±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  16.15
• 重原子数：
  67.0
• 可旋转键数：
  22.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  105.26
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  5,10,15-tris(4-pyridyl)-20-[4-(octadecyloxy)phenyl]-21H,23H-porphine 、 zinc(II) acetate dihydrate 以 溶剂黄146 为溶剂， 以90%的产率得到[Zn(5,10,15-tris(4-pyridyl)-20-[4-(octadecyloxy)phenyl]-21H,23H-porphine)]
  参考文献：
  名称：

  Synthesis of Amphiphilic Porphyrins

  摘要：

  一种水溶性表面活性剂卟啉 5,10,-15-三（1-甲基吡啶-4-基）-20-[4-（十八烷氧基）苯基]21H、23H-卟吩三碘化物及其金属配合物已被合成并表征。

  DOI：

  10.1246/bcsj.54.3879
• 作为产物：
  描述：

  4-吡啶甲醛 、 吡咯 、 4-十八烷氧基苯甲醛 以 丙酸 为溶剂， 反应 2.0h， 以12.8%的产率得到5,10,15-tris(4-pyridyl)-20-[4-(octadecyloxy)phenyl]-21H,23H-porphine
  参考文献：
  名称：

  Synthesis of Amphiphilic Porphyrins

  摘要：

  一种水溶性表面活性剂卟啉 5,10,-15-三（1-甲基吡啶-4-基）-20-[4-（十八烷氧基）苯基]21H、23H-卟吩三碘化物及其金属配合物已被合成并表征。

  DOI：

  10.1246/bcsj.54.3879

文献信息

• Surface Patterning with Two-Dimensional Porphyrin Supramolecular Arrays
  作者：Joe Otsuki、Emi Nagamine、Tomohide Kondo、Kosyo Iwasaki、Masumi Asakawa、Koji Miyake

  DOI：10.1021/ja0531778

  日期：2005.7.1

  Monolayer arrays of a series of meso-tetra-substituted porphyrins containing octadecyloxy and carboxyl (or pyridyl) groups were prepared on the highly oriented pyrolytic graphite surface at the liquid/solid interface. It was found by means of scanning tunneling microscopy that some porphyrins from this family assemble into various patterns. Specifically, slightly undulated rows are obtained from 5,10,15-tris(4-octadecyloxyphenyl)-20-(4-pyridyl)porphyrin. Meanwhile, rows with more pronounced kinks result from 5-(4-carboxyphenyl)-10,15,20-tris(4-octadecyloxyphenyl)porphyrin. The occurrence of the kinks is dependent on the arrangement of surrounding porphyrin molecules and is determined by intricate interplay between directional hydrogen-bonding interactions and packing forces, including molecule-molecule and molecule-substrate interactions. A double-layer structure is obtained from 5,10-bis(4-carboxyphenyl)-15,20-bis(4-octadecyloxyphenyl)porphyrin, probably through cyclic hydrogen bond formation. This work proves the concept that programmed surface patterning is possible by using porphyrins incorporating directional intermolecular interaction sites.