2,3,7,8,12,13,17,18-octakis(pentafluorophenyl)-2-seco-2,3-dioxoporhyrazine | 1385026-65-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,3,7,8,12,13,17,18-octakis(pentafluorophenyl)-2-seco-2,3-dioxoporhyrazine
• 英文别名: [15-(2,3,4,5,6-Pentafluorobenzoyl)-4,5,9,10,18,19-hexakis(2,3,4,5,6-pentafluorophenyl)-2,7,12,14,16,20,21,22-octazatetracyclo[15.2.1.13,6.18,11]docosa-1,3(22),4,6,8,10,12,15,17(20),18-decaen-13-yl]-(2,3,4,5,6-pentafluorophenyl)methanone
• CAS: 1385026-65-2
• 化学式: C₆₄H₂F₄₀N₈O₂
• 分子量: 1674.71
• InChiKey: IEYBZEBTDDXFGS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.4
• 重原子数：
  114
• 可旋转键数：
  10
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  143
• 氢给体数：
  2
• 氢受体数：
  48

反应信息

• 作为反应物：
  描述：

  2,3,7,8,12,13,17,18-octakis(pentafluorophenyl)-2-seco-2,3-dioxoporhyrazine 、 copper diacetate 以 not given 为溶剂， 以54%的产率得到2,3,7,8,12,13,17,18-octakis(pentafluorophenyl)-2-seco-2,3-dioxoporhyrazinatocopper(II)
  参考文献：
  名称：

  Synthesis and characterization of new soluble polyfluorinated seco-porphyrazines

  摘要：

  The synthesis of new polyfluorinated magnesium porphyrazine bearing pentafluorophenyl moieties was achieved by cyclotetramerization of 3,4-bis(pentafluorophenyl)pyrroline-2,5-diimine in the presence of Mg(BuO)(2). Acid-mediated demetallation of the magnesium porphyrazine resulted in peripheral oxidation of one pyrrole ring to reveal the seco-porphyrazine, [2,3,7,8,12,13,17,18-octakis(pentafluorophenyl)-2-seco-2,3-dioxoporphyrazine]. Further reaction of that product with copper (II) acetate, zinc (II) acetate and cobalt (II) acetate has led to the metallated seco-derivatives, [2,3,7,8,12,13,17,18-octakis(pentafluorophenyl)-2-seco-2,3-dioxoporphyrazinato] M(II) [M = Cu(II), Zn(II), Co(II)]. The spectroscopic and aggregation behavior of all the target porphyrazines were investigated in different solvents and at different concentrations in chloroform. The compounds were characterized by using many spectroscopic techniques such as FT-IR, H-1 NMR, C-13 NMR, F-19 NMR. UV-vis, mass and elemental analysis. The porphyrazines were soluble in various organic solvents such as chloroform, dichloromethane, pyridine, and THF. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2012.04.002