2,9,16,23-tetra-(3,5-dihydroxyphenoxy)phthalocyanine | 1571113-68-2

• 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: 2,9,16,23-tetra-(3,5-dihydroxyphenoxy)phthalocyanine
• 英文别名: 5-[[15,24,33-Tris(3,5-dihydroxyphenoxy)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10(40),12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaen-6-yl]oxy]benzene-1,3-diol；5-[[15,24,33-tris(3,5-dihydroxyphenoxy)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10(40),12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaen-6-yl]oxy]benzene-1,3-diol
• CAS: 1571113-68-2
• 化学式: C₅₆H₃₄N₈O₁₂
• 分子量: 1010.93
• InChiKey: IMHARFKTLRMKSC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.6
• 重原子数：
  76
• 可旋转键数：
  8
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  308
• 氢给体数：
  10
• 氢受体数：
  18

反应信息

• 作为产物：
  描述：

  2,9,16,23-tetra-(3,5-dimethoxyphenoxy)phthalocyanine 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 反应 25.0h， 以90%的产率得到2,9,16,23-tetra-(3,5-dihydroxyphenoxy)phthalocyanine
  参考文献：
  名称：

  Synthesis, characterization and electrochemical investigation of phthalocyanines carrying 96 boron atoms

  摘要：

  Metal-free and Co(II)-phthalocyanines carrying eight dodecaborate substituents (96 boron atoms) on the peripheral positions were synthesized in a multistep reaction sequence. The first step of the preparation of metal-free and Co(II) target phthalocyanines was cyclotetramerization of 4-(3,5-dimethoxyphenoxy) phthalonitrile in pentanol in the presence of lithium pentanolate and Co(II) salt, respectively. After cleavage of methyl groups the reaction of (Bu4N)[B12H11O(CH2CH2)(2)O] with hydroxyphenoxy substituted phthalocyanines gives the novel phthalocyanines 7, 8 with eight dodecaborate units. The new phthalocyanine compounds were characterized by NMR, FT-IR and UV-VIS spectral data. The electrochemical investigations of cobalt(II) phthalocyanine together with Zn(II) derivative having identical substituents were studied. (C) 2014 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2014.01.004

文献信息

• Synthesis, characterization and electrochemical investigation of phthalocyanines carrying 96 boron atoms
  作者：Bahar Birsöz、Ilgın Nar、Ahmet Gül

  DOI：10.1016/j.jorganchem.2014.01.004

  日期：2014.4

  Metal-free and Co(II)-phthalocyanines carrying eight dodecaborate substituents (96 boron atoms) on the peripheral positions were synthesized in a multistep reaction sequence. The first step of the preparation of metal-free and Co(II) target phthalocyanines was cyclotetramerization of 4-(3,5-dimethoxyphenoxy) phthalonitrile in pentanol in the presence of lithium pentanolate and Co(II) salt, respectively. After cleavage of methyl groups the reaction of (Bu4N)[B12H11O(CH2CH2)(2)O] with hydroxyphenoxy substituted phthalocyanines gives the novel phthalocyanines 7, 8 with eight dodecaborate units. The new phthalocyanine compounds were characterized by NMR, FT-IR and UV-VIS spectral data. The electrochemical investigations of cobalt(II) phthalocyanine together with Zn(II) derivative having identical substituents were studied. (C) 2014 Elsevier B. V. All rights reserved.