5,6-dicyano-2-phenyl-1-propylbenzimidazole | 887928-86-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 5,6-dicyano-2-phenyl-1-propylbenzimidazole
• 英文别名: 2-phenyl-1-propylbenzimidazole-5,6-dicarbonitrile
• CAS: 887928-86-1
• 化学式: C₁₈H₁₄N₄
• 分子量: 286.336
• InChiKey: ZKVRZQHBKBUUSD-UHFFFAOYSA-N

物化性质

• 熔点：
  183-185 °C
• 沸点：
  547.9±60.0 °C(Predicted)
• 密度：
  1.16±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  65.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5,6-dicyano-2-phenyl-1-propylbenzimidazole 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 zinc(II) chloride 作用下， 以 戊醇 为溶剂， 反应 18.0h， 以62%的产率得到tetrakis(2-phenyl-1-propylbenzimidazo[5,6-b:5',6'-g:5'',6''-l:5''',6'''-q])porphyrazinatozinc(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
• 作为产物：
  描述：

  1,2-二硝基苯 在 盐酸 、 硫酸 、 碘 、 氧气 、 三氯化铁 、 铁粉 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 N-甲基吡咯烷酮 、 乙醇 为溶剂， 反应 32.0h， 生成 5,6-dicyano-2-phenyl-1-propylbenzimidazole
  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。
• SUBSTITUTED BENZAZOLOPORPHYRAZINES FOR POLYMERIZATION AND SURFACE ATTACHMENT AND ARTICLES FORMED THEREFROM
  申请人：Youngblood W. Justin

  公开号：US20120101243A1

  公开（公告）日：2012-04-26

  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底和结合在基底上的苯并咪唑卟啉制成的制品。该制品可以采取多种不同的形式，例如电致变色显示器、分子电容器、电池、太阳能电池或分子记忆装置等。还描述了制造这种制品的方法，以及用于制造这种苯并咪唑卟啉的化合物、方法和中间体。
• US7919770B2
  申请人：——

  公开号：US7919770B2

  公开（公告）日：2011-04-05
• US8106393B2
  申请人：——

  公开号：US8106393B2

  公开（公告）日：2012-01-31
• 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.