5,15-bis-(2-methoxyphenyl)octaethylporphyrin | 65858-43-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 5,15-bis-(2-methoxyphenyl)octaethylporphyrin
• 英文别名: di(2-methoxyphenyl)octaethylporphyrin；2,3,7,8,12,13,17,18-octaethyl-5,15-bis-(2-methoxy-phenyl)-21H,23H-porphine
• CAS: 65858-43-7
• 化学式: C₅₀H₅₈N₄O₂
• 分子量: 747.036
• InChiKey: QWRIUAAPJHQGOE-RHUNASRXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.38
• 重原子数：
  56.0
• 可旋转键数：
  12.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  75.82
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  5,15-bis-(2-methoxyphenyl)octaethylporphyrin 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Synthesis of interlocked basket handle porphyrins

  摘要：

  The synthesis and the characterization by UV-visible and ill NMR spectroscopic analyses of interlocked basket handle porphyrins in which the two subunits ore assembled by the Cu(I) complex of phenanthroline residues inserted into superstructures are reported

  DOI：

  10.1016/s0040-4039(00)76887-0

文献信息

• Molecular recognition of nitrogen – containing bases by Zn[5,15-bis-(2,6-dodecyloxyphenyl)]porphyrin
  作者：Olga Maltceva、Galina Mamardashvili、Ilya Khodov、Dmitriy Lazovskiy、Veronika Khodova、Michael Krest’yaninov、Nugzar Mamardashvili、Wim Dehaen

  DOI：10.1080/10610278.2016.1238473

  日期：2017.5.4

  By means of spectrophotometric titration and H-1 NMR spectroscopy, the selective binding ability of the Zn-5,15-bis-(2,6-dodecyloxyphenyl)porphyrin towards nitrogen containing organic molecules of various nature has been studied. It has been found that the presence of long alkoxy substituents at the ortho-positions of the Zn-porphyrin phenyl rings prevents the axial coordination of tertiary amines and, conversely, creates favourable conditions for binding of a primary diamine due to the presence of additional binding sites, namely the oxygen atoms of the ortho-ortho- dodecyloxy substituents of the meso phenyl groups. The formation of stable complexes with multiple binding sites has been confirmed by DFT quantum chemical calculations and two-dimensional NMR experiments.[GRAPHICS].