[2,3,7,8,12,13,17,18-octakis(3-thiopropylpentafluorobenzoate)H21,H23-porphyrazine] | 1374123-06-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [2,3,7,8,12,13,17,18-octakis(3-thiopropylpentafluorobenzoate)H21,H23-porphyrazine]
• 英文别名: 3-[[5,9,10,14,15,19,20-Heptakis[3-(2,3,4,5,6-pentafluorobenzoyl)oxypropylsulfanyl]-2,7,12,17,21,22,23,24-octazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3(24),4,6,8,10,12,14,16(22),17,19-undecaen-4-yl]sulfanyl]propyl 2,3,4,5,6-pentafluorobenzoate；3-[[5,9,10,14,15,19,20-heptakis[3-(2,3,4,5,6-pentafluorobenzoyl)oxypropylsulfanyl]-2,7,12,17,21,22,23,24-octazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3(24),4,6,8,10,12,14,16(22),17,19-undecaen-4-yl]sulfanyl]propyl 2,3,4,5,6-pentafluorobenzoate
• CAS: 1374123-06-4
• 化学式: C₉₆H₅₀F₄₀N₈O₁₆S₈
• 分子量: 2587.96
• InChiKey: FXVCCHQSKGYLAT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  24.3
• 重原子数：
  168
• 可旋转键数：
  56
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  522
• 氢给体数：
  2
• 氢受体数：
  70

反应信息

• 作为反应物：
  描述：

  [2,3,7,8,12,13,17,18-octakis(3-thiopropylpentafluorobenzoate)H21,H23-porphyrazine] 在 copper diacetate 作用下， 以 乙醇 、 氯仿 为溶剂， 反应 6.0h， 以46%的产率得到[2,3,7,8,12,13,17,18-octakis(3-thiopropylpentafluorobenzoate)porphyrazinato]copper(II)
  参考文献：
  名称：

  Synthesis and characterization of novel metal-free and metallo-porphyrazines with eight 3-thiopropylpentafluorobenzoate units

  摘要：

  Metal-free and metallo-porphyrazines (M = 2H, Mg, Cu, Zn or Co) with eight polyfluorinated groups appended on the periphery through flexible alkylthio-bridges have been synthesized through esterification of octakis(hydroxypropylthio)porphyrazinato magnesium with 2,3,4,5,6-pentafluorobenzoic acid in the presence of dicyclohexylcarbodiimide (DCCI) and toluene-p-sulfonic acid. The symmetrically functionalized porphyrazines with eight ester units are soluble in common organic solvents, such as CHCl3, CH2Cl2, THF, acetone and toluene, and are insoluble in water and n-hexane. The newly synthesized compounds were characterized by FT-IR, UV-Vis, mass, H-1, C-13 and F-19 NMR, together with elemental analysis. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.03.015
• 作为产物：
  描述：

  [2,3,7,8,12,13,17,18-octakis(3-thiopropylpentafluorobenzoate)porphyrazinato]magnesium(II) 在 三氟乙酸 作用下， 反应 3.0h， 以68%的产率得到[2,3,7,8,12,13,17,18-octakis(3-thiopropylpentafluorobenzoate)H21,H23-porphyrazine]
  参考文献：
  名称：

  Synthesis and characterization of novel metal-free and metallo-porphyrazines with eight 3-thiopropylpentafluorobenzoate units

  摘要：

  Metal-free and metallo-porphyrazines (M = 2H, Mg, Cu, Zn or Co) with eight polyfluorinated groups appended on the periphery through flexible alkylthio-bridges have been synthesized through esterification of octakis(hydroxypropylthio)porphyrazinato magnesium with 2,3,4,5,6-pentafluorobenzoic acid in the presence of dicyclohexylcarbodiimide (DCCI) and toluene-p-sulfonic acid. The symmetrically functionalized porphyrazines with eight ester units are soluble in common organic solvents, such as CHCl3, CH2Cl2, THF, acetone and toluene, and are insoluble in water and n-hexane. The newly synthesized compounds were characterized by FT-IR, UV-Vis, mass, H-1, C-13 and F-19 NMR, together with elemental analysis. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.03.015

文献信息

• Synthesis and characterization of novel metal-free and metallo-porphyrazines with eight 3-thiopropylpentafluorobenzoate units
  作者：Hakan Kunt、Ergün Gonca

  DOI：10.1016/j.poly.2012.03.015

  日期：2012.5

  Metal-free and metallo-porphyrazines (M = 2H, Mg, Cu, Zn or Co) with eight polyfluorinated groups appended on the periphery through flexible alkylthio-bridges have been synthesized through esterification of octakis(hydroxypropylthio)porphyrazinato magnesium with 2,3,4,5,6-pentafluorobenzoic acid in the presence of dicyclohexylcarbodiimide (DCCI) and toluene-p-sulfonic acid. The symmetrically functionalized porphyrazines with eight ester units are soluble in common organic solvents, such as CHCl3, CH2Cl2, THF, acetone and toluene, and are insoluble in water and n-hexane. The newly synthesized compounds were characterized by FT-IR, UV-Vis, mass, H-1, C-13 and F-19 NMR, together with elemental analysis. (C) 2012 Elsevier Ltd. All rights reserved.