1,8,15,22-tetranitro iron(II) phthalocyanine | 126913-53-9

• 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: 1,8,15,22-tetranitro iron(II) phthalocyanine
• 英文别名: Iron(II) 1,8,15,22-tetra(nitro)phthalocyanine；iron(2+);5,14,23,32-tetranitro-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene
• CAS: 126913-53-9
• 化学式: C₃₂H₁₂FeN₁₂O₈
• 分子量: 748.37
• InChiKey: PXUPRZLMIFCQEV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.76
• 重原子数：
  53
• 可旋转键数：
  0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  259
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  [5-(4-hydroxyphenyl)-10,15,20-triphenylporphyrin]iron(III) chloride 、 1,8,15,22-tetranitro iron(II) phthalocyanine 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 以50%的产率得到FePC-(FeTPP)4
  参考文献：
  名称：

  Synthesis and characterization of three covalently linked porphyrin-phthalocyanine pentamers with nucleophilic substitution

  摘要：

  In this paper the synthetic methods of three covalently linked porphyrin-phthalocyanine heteropentamers, containing four units of porphyrin linked to a central phthalocyanine (Mpor-LPc; M = 2H, Fe, L = Zn, Fe), are described. The synthetic strategy is on the basis of nucleophilic substitution reactions between [1,8,15,22-tetra nitro phthalocyanines] and [5-(4-hydroxy phenyl)-10,15,20-triphenyl porphyrins] as the phenolic alcohols. Porphyrins are linked with oxygen as spacer through meso position of phenyl group to phthalocyanines. These macromolecules were characterized by H-1 NMR, UV-Vis, IR, fluorescence and mass spectroscopy. The electronic absorption spectrums of the hetero-dyad systems changed significantly upon coupling and showed a great red shift in the phthalocyanine Q-bands. These changes confirm the electron-donating effects of the porphyrin units and the extension of conjugated pi-systems. The emission spectra of the products supports intramolecular energy and charge transfer between the sub-units. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2010.03.022