2,3,7,8,12,13,17,18-octakis[3,5-bis(trifluoromethyl)phenyl]-2-seco-porphyrazine-2,3-dione | 1290041-21-2

• 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[3,5-bis(trifluoromethyl)phenyl]-2-seco-porphyrazine-2,3-dione
• 英文别名: [15-[3,5-Bis(trifluoromethyl)benzoyl]-4,5,9,10,18,19-hexakis[3,5-bis(trifluoromethyl)phenyl]-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]-[3,5-bis(trifluoromethyl)phenyl]methanone；[15-[3,5-bis(trifluoromethyl)benzoyl]-4,5,9,10,18,19-hexakis[3,5-bis(trifluoromethyl)phenyl]-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]-[3,5-bis(trifluoromethyl)phenyl]methanone
• CAS: 1290041-21-2
• 化学式: C₈₀H₂₆F₄₈N₈O₂
• 分子量: 2043.06
• InChiKey: SHKPJSHNGQNKBF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  27.5
• 重原子数：
  138
• 可旋转键数：
  10
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  143
• 氢给体数：
  2
• 氢受体数：
  56

反应信息

• 作为反应物：
  描述：

  2,3,7,8,12,13,17,18-octakis[3,5-bis(trifluoromethyl)phenyl]-2-seco-porphyrazine-2,3-dione 在 copper diacetate 作用下， 以 乙醇 、 氯仿 为溶剂， 反应 4.0h， 以70%的产率得到(2,3,7,8,12,13,17,18-octakis[3,5-bis(trifluoromethyl)phenyl]-2-seco-2,3-dioxoporphyrazinato)copper(II)
  参考文献：
  名称：

  Synthesis and characterization of new soluble fluorinated seco-porphyrazines

  摘要：

  Magnesium porphyrazinate substituted with eight 3,5-bis(trifluoromethyl)phenyl groups on the peripheral positions has been synthesized by the cyclotetramerization of 3,4[3,5-bis(trifluoromethyl)-phenyl]pyrroline-2,5-diimine in the presence of magnesium butanolate. Acid-mediated demetallation of the magnesium porphyrazine resulted in peripheral oxidation of one pyrrole ring to reveal the seco-porphyrazine, octakis[3,5-bis(trifluoromethyl)phenyl]-2-seco-porphyrazine-2,3-dione. Further reaction of this product with copper (II) acetate, zinc (II) acetate and cobalt (II) acetate has led to the metallo-derivatives, {octakis[3,5-bis(trifluoromethyl)phenyl]-2-seco-2,3-dioxoporphyrazinato} M(II) [M = Cu(II), Zn(II), Co(II)]. These new soluble complexes were characterized by elemental analysis, together with FT-IR, H-1 NMR, C-13 NMR, F-19 NMR, UV-Vis and mass spectral data. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2011.01.003
• 作为产物：
  描述：

  Magnesium;4,5,9,10,14,15,19,20-octakis[3,5-bis(trifluoromethyl)phenyl]-2,7,12,17,21,23-hexaza-22,24-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene 在 三氟乙酸 作用下， 反应 3.0h， 以65%的产率得到2,3,7,8,12,13,17,18-octakis[3,5-bis(trifluoromethyl)phenyl]-2-seco-porphyrazine-2,3-dione
  参考文献：
  名称：

  Synthesis and characterization of new soluble fluorinated seco-porphyrazines

  摘要：

  Magnesium porphyrazinate substituted with eight 3,5-bis(trifluoromethyl)phenyl groups on the peripheral positions has been synthesized by the cyclotetramerization of 3,4[3,5-bis(trifluoromethyl)-phenyl]pyrroline-2,5-diimine in the presence of magnesium butanolate. Acid-mediated demetallation of the magnesium porphyrazine resulted in peripheral oxidation of one pyrrole ring to reveal the seco-porphyrazine, octakis[3,5-bis(trifluoromethyl)phenyl]-2-seco-porphyrazine-2,3-dione. Further reaction of this product with copper (II) acetate, zinc (II) acetate and cobalt (II) acetate has led to the metallo-derivatives, {octakis[3,5-bis(trifluoromethyl)phenyl]-2-seco-2,3-dioxoporphyrazinato} M(II) [M = Cu(II), Zn(II), Co(II)]. These new soluble complexes were characterized by elemental analysis, together with FT-IR, H-1 NMR, C-13 NMR, F-19 NMR, UV-Vis and mass spectral data. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2011.01.003

文献信息

• Synthesis and characterization of new soluble fluorinated seco-porphyrazines
  作者：Murat Altunkaya、Ergün Gonca

  DOI：10.1016/j.poly.2011.01.003

  日期：2011.4

  Magnesium porphyrazinate substituted with eight 3,5-bis(trifluoromethyl)phenyl groups on the peripheral positions has been synthesized by the cyclotetramerization of 3,4[3,5-bis(trifluoromethyl)-phenyl]pyrroline-2,5-diimine in the presence of magnesium butanolate. Acid-mediated demetallation of the magnesium porphyrazine resulted in peripheral oxidation of one pyrrole ring to reveal the seco-porphyrazine, octakis[3,5-bis(trifluoromethyl)phenyl]-2-seco-porphyrazine-2,3-dione. Further reaction of this product with copper (II) acetate, zinc (II) acetate and cobalt (II) acetate has led to the metallo-derivatives, octakis[3,5-bis(trifluoromethyl)phenyl]-2-seco-2,3-dioxoporphyrazinato} M(II) [M = Cu(II), Zn(II), Co(II)]. These new soluble complexes were characterized by elemental analysis, together with FT-IR, H-1 NMR, C-13 NMR, F-19 NMR, UV-Vis and mass spectral data. (C) 2011 Elsevier Ltd. All rights reserved.