tetrakis(2-tridec-7-yl-1-propylbenzimidazo[5,6-b:5',6'-g:5'',6''-l:5''',6'''-q])porphyrazinatomagnesium(II) | 887928-90-7

• 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: tetrakis(2-tridec-7-yl-1-propylbenzimidazo[5,6-b:5',6'-g:5'',6''-l:5''',6'''-q])porphyrazinatomagnesium(II)
• 英文别名: magnesium;9,21,33,45-tetrapropyl-8,20,32,44-tetra(tridecan-7-yl)-2,7,9,14,19,21,26,31,33,38,43,45,49,50-tetradecaza-51,52-diazanidatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]dopentaconta-1,3,5,7,10,12,14,16,18(22),19,23,25,27(50),28,30(34),31,35,37,39(49),40,42(46),43,47-tricosaene
• CAS: 887928-90-7
• 化学式: C₁₀₀H₁₄₄MgN₁₆
• 分子量: 1594.66
• InChiKey: HPMYJGUNGFVOQK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  28.88
• 重原子数：
  117
• 可旋转键数：
  52
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  147
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  5,6-dicyano-1-propyl-2-(tridec-7-yl)benzimidazole 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 magnesium chloride 作用下， 以 戊醇 为溶剂， 反应 18.0h， 以27%的产率得到tetrakis(2-tridec-7-yl-1-propylbenzimidazo[5,6-b:5',6'-g:5'',6''-l:5''',6'''-q])porphyrazinatomagnesium(II)
  参考文献：
  名称：

  Synthesis of a New trans-A₂B₂ Phthalocyanine Motif as a Building Block for Rodlike Phthalocyanine Polymers

  摘要：

  Polyphthalocyanines have potential application in the development of electronic materials. One-dimensional polyphthalocyanines are accessible through monomers having a trans-A(2)B(2) structure, but the preparation of a truly linear polyphthalocyanine is challenging because of limitations imposed by the geometry of phthalocyanines and the methodology for their synthesis. Benzimidazoporphyrazines are a known class of extra-annulated phthalocyanines. A trans-A(2)B(2) benzimidazoporphyrazine is geometrically suitable for the preparation of rodlike polymers. A new synthesis of benzimidazoporphyrazines is presented as a stepping stone to the synthesis of trans-A(2)B(2) benzimidazoporphyrazines.

  DOI：

  10.1021/jo052122l

文献信息

• Substituted benzazoloporphyrazines for polymerization and surface attachment and articles formed therefrom
  申请人：Youngblood W. Justin

  公开号：US20110015388A1

  公开（公告）日：2011-01-20

  The present invention provides an article of manufacture formed from a substrate and a benzazoloporphyrazine bound to the substrate. The article may take a variety of different forms and may be for example an electrochromic display, a molecular capacitor, a battery, a solar cell, or a molecular memory device. Methods of making such articles, along with compounds, methods and intermediates useful for making such benzazoloporphyrazines, are also described.

  本发明提供了一种由基板和与基板结合的苯并咔唑卟啉制成的制品。该制品可以采用各种不同形式，例如电致变色显示器、分子电容器、电池、太阳能电池或分子存储器件。还描述了制造这种制品的方法，以及用于制造这种苯并咔唑卟啉的化合物、方法和中间体。
• Synthesis of a New <i>trans</i>-A₂B₂ Phthalocyanine Motif as a Building Block for Rodlike Phthalocyanine Polymers
  作者：W. Justin Youngblood

  DOI：10.1021/jo052122l

  日期：2006.4.1

  Polyphthalocyanines have potential application in the development of electronic materials. One-dimensional polyphthalocyanines are accessible through monomers having a trans-A(2)B(2) structure, but the preparation of a truly linear polyphthalocyanine is challenging because of limitations imposed by the geometry of phthalocyanines and the methodology for their synthesis. Benzimidazoporphyrazines are a known class of extra-annulated phthalocyanines. A trans-A(2)B(2) benzimidazoporphyrazine is geometrically suitable for the preparation of rodlike polymers. A new synthesis of benzimidazoporphyrazines is presented as a stepping stone to the synthesis of trans-A(2)B(2) benzimidazoporphyrazines.