2,3,9,10,16,17-hexa(4-pentylphenoxy)-23-hydroxyphthalocyanine | 1351276-41-9

• 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: 2,3,9,10,16,17-hexa(4-pentylphenoxy)-23-hydroxyphthalocyanine
• 英文别名: 15,16,24,25,33,34-Hexakis(4-pentylphenoxy)-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),3,5,7,9,11,13,15,17,19(39),20,22,24,26,28(38),29,31,33,35-nonadecaen-6-ol；15,16,24,25,33,34-hexakis(4-pentylphenoxy)-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),3,5,7,9,11,13,15,17,19(39),20,22,24,26,28(38),29,31,33,35-nonadecaen-6-ol
• CAS: 1351276-41-9
• 化学式: C₉₈H₁₀₂N₈O₇
• 分子量: 1503.94
• InChiKey: GHVRIMRXRRKRDC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  29.7
• 重原子数：
  113
• 可旋转键数：
  36
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  185
• 氢给体数：
  3
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  癸二酰氯 、 2,3,9,10,16,17-hexa(4-pentylphenoxy)-23-hydroxyphthalocyanine 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Asymmetric Phthalocyanine Synthesis by ROMP-Capture-Release

  摘要：

  Statistical condensation of norbornenyl-tagged phthalonitrile 3 (Pn A) and 4,5-di-4-methoxyphenoxyphthalonitrile 4 (Pn B) followed by ring-opening metathesis polymerization (ROMP) of Pcs AB(3) and B-4 produced asymmetric Pc-appended polymers. Acidic cleavage of the resulting polymers afforded 2,3,9,10,16,17-hexa-(4-methoxyphenoxy)-23-hydroxy Pc 9. A more soluble 2,3,9,10,16,17-hexa-4-pentylphenoxy-23-hydroxy Pc 13 was synthesized by the same strategy and modified with sebacoyl chloride demonstrating that the unmasked hydroxyl site is reactive as a nucleophile.

  DOI：

  10.1021/ol900352f
• 作为产物：
  描述：

  在 RuCl2(1,3-dimesityl-imidazolidin-2-yl)(PCy3)(=CHPh) 、 1,4-di(norborn-2-en-5-yl)benzene 、 乙烯基乙醚 、 三氟乙酸 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 14.0h， 以0.16 g的产率得到2,3,9,10,16,17-hexa(4-pentylphenoxy)-23-hydroxyphthalocyanine
  参考文献：
  名称：

  Asymmetric Phthalocyanine Synthesis by ROMP-Capture-Release

  摘要：

  Statistical condensation of norbornenyl-tagged phthalonitrile 3 (Pn A) and 4,5-di-4-methoxyphenoxyphthalonitrile 4 (Pn B) followed by ring-opening metathesis polymerization (ROMP) of Pcs AB(3) and B-4 produced asymmetric Pc-appended polymers. Acidic cleavage of the resulting polymers afforded 2,3,9,10,16,17-hexa-(4-methoxyphenoxy)-23-hydroxy Pc 9. A more soluble 2,3,9,10,16,17-hexa-4-pentylphenoxy-23-hydroxy Pc 13 was synthesized by the same strategy and modified with sebacoyl chloride demonstrating that the unmasked hydroxyl site is reactive as a nucleophile.

  DOI：

  10.1021/ol900352f

文献信息

• Asymmetric Phthalocyanine Synthesis by ROMP-Capture-Release
  作者：Xiaochun Chen、Thaddeus R. Salmon, III、Dominic V. McGrath

  DOI：10.1021/ol900352f

  日期：2009.5.21

  Statistical condensation of norbornenyl-tagged phthalonitrile 3 (Pn A) and 4,5-di-4-methoxyphenoxyphthalonitrile 4 (Pn B) followed by ring-opening metathesis polymerization (ROMP) of Pcs AB(3) and B-4 produced asymmetric Pc-appended polymers. Acidic cleavage of the resulting polymers afforded 2,3,9,10,16,17-hexa-(4-methoxyphenoxy)-23-hydroxy Pc 9. A more soluble 2,3,9,10,16,17-hexa-4-pentylphenoxy-23-hydroxy Pc 13 was synthesized by the same strategy and modified with sebacoyl chloride demonstrating that the unmasked hydroxyl site is reactive as a nucleophile.