dibenzo[l,q]-(2-{4-(2-triisopropylsilylethynyl)phenyl}-1-propylbenzimidazo[5,6-b:5',6'-g])porphyrazinatozinc(II)

• 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: dibenzo[l,q]-(2-{4-(2-triisopropylsilylethynyl)phenyl}-1-propylbenzimidazo[5,6-b:5',6'-g])porphyrazinatozinc(II)
• 英文别名: zinc;2-[4-[7,37-dipropyl-38-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]-2,7,9,14,23,32,37,39,44,45-decaza-43,46-diazanidaundecacyclo[31.9.1.13,13.115,22.124,31.04,12.06,10.016,21.025,30.034,42.036,40]hexatetraconta-1,3,5,8,10,12,14,16,18,20,22(45),23,25,27,29,31(44),32,34,36(40),38,41-henicosaen-8-yl]phenyl]ethynyl-tri(propan-2-yl)silane
• 化学式: C₇₄H₇₆N₁₂Si₂*Zn
• 分子量: 1255.06
• InChiKey: DLHGWAQUCSMMND-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  18.12
• 重原子数：
  89
• 可旋转键数：
  16
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  112
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 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 、 zinc(II) chloride 作用下， 以 N-甲基吡咯烷酮 、 乙醇 、 戊醇 为溶剂， 反应 36.0h， 生成 dibenzo[l,q]-(2-{4-(2-triisopropylsilylethynyl)phenyl}-1-propylbenzimidazo[5,6-b:5',6'-g])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

文献信息

• 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.