27-(2-methylphenyl)tetrabenzo[b,g,l,q][5,10,15]triazaporphyrinato zinc | 1586046-62-9

• 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: 27-(2-methylphenyl)tetrabenzo[b,g,l,q][5,10,15]triazaporphyrinato zinc
• CAS: 1586046-62-9
• 化学式: C₄₀H₂₃N₇Zn
• 分子量: 667.06
• InChiKey: VTESINVRGGFOBO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  (2-甲基苄基)三苯基氯化膦 、 1,2-二氰基苯 、 锌 反应 6.0h， 以11%的产率得到27-(2-methylphenyl)tetrabenzo[b,g,l,q][5,10,15]triazaporphyrinato zinc
  参考文献：
  名称：

  First X-ray crystallographic study of a meso-substituted tetrabenzotriazaporphyrin: Structural effect of a meso-aryl unit on 27-(2-methylphenyl)tetrabenzotriazaporphyrinato zinc example in comparison with zinc phthalocyaninate

  摘要：

  A recently developed synthetic procedure afforded meso-aryl substituted tetrabenzotriazaporphyrin complex, namely 27-(2-methylphenyptetrabenzo[b,g,Lq][5,10,15]triazaporphyrinato zinc ((2-MePh)TBTAPZn, 1). The reaction also produced zinc phthalocyanine (PcZn, 2) as a byproduct. The complexes were characterized by the UV-Vis, NMR spectroscopy as well as MALDI-TOF mass spectrometry. Furthermore, they form supramolecular structures [1 center dot DMSO]center dot 2(DMSO) (I) and [2 center dot DMSO] 0.65(DMSO)center dot 0.5(CH3OH) (II) determined by single-crystal X-ray diffraction analysis. To the best of our knowledge, I represents the first X-ray defined structure of a mesa-substituted TBTAP derivative. Both structures were shown to be composed of centrosymmetric dimers, which are stabilized by the axial it-stacking intermolecular interactions. Comparison of the data for I and II indicates that the presence of the meso-aryl substituent in the TBTAP molecule results in considerable and even unexpected structural effects. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2014.02.012