dibenzo[g,q]-(2-{4-ethynylphenyl}-1-propylbenzimidazo[5,6-b:5',6'-l])porphyrazinatozinc(II)-C2v | 887929-02-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: dibenzo[g,q]-(2-{4-ethynylphenyl}-1-propylbenzimidazo[5,6-b:5',6'-l])porphyrazinatozinc(II)-C2v
• 英文别名: zinc;17,38-bis(4-ethynylphenyl)-18,37-dipropyl-2,11,16,18,23,32,37,39,44,46-decaza-43,45-diazanidaundecacyclo[31.9.1.13,10.112,22.124,31.04,9.013,21.015,19.025,30.034,42.036,40]hexatetraconta-1(42),2,4,6,8,10(46),11,13,15(19),16,20,22,24(44),25,27,29,31,33,35,38,40-henicosaene
• CAS: 887929-02-4
• 化学式: C₅₆H₃₆N₁₂Zn
• 分子量: 942.372
• InChiKey: FBLAECBSZUUAEZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.94
• 重原子数：
  69
• 可旋转键数：
  8
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  115
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  dibenzo[g,q]-(2-{4-(2-triisopropylsilylethynyl)phenyl}-1-propylbenzimidazo[5,6-b:5',6'-l])porphyrazinatozinc(II)-C2v 在 四丁基氟化铵 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 1.5h， 以72%的产率得到dibenzo[g,q]-(2-{4-ethynylphenyl}-1-propylbenzimidazo[5,6-b:5',6'-l])porphyrazinatozinc(II)-C2v
  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