1,4,5,8,9,12-hexabutoxy-14-[3-(ethylmalonateoxymethyl)phenoxy]phtalocyanine | 1310058-30-0

• 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: 1,4,5,8,9,12-hexabutoxy-14-[3-(ethylmalonateoxymethyl)phenoxy]phtalocyanine
• CAS: 1310058-30-0
• 化学式: C₆₈H₇₈N₈O₁₁
• 分子量: 1183.41
• InChiKey: QMTSOXOUJFBHIO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.73
• 重原子数：
  87.0
• 可旋转键数：
  31.0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  226.13
• 氢给体数：
  2.0
• 氢受体数：
  17.0

反应信息

• 作为反应物：
  描述：

  1,4,5,8,9,12-hexabutoxy-14-[3-(ethylmalonateoxymethyl)phenoxy]phtalocyanine 、 足球烯 在 碘 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 甲苯 为溶剂， 反应 3.25h， 以52%的产率得到B6PF
  参考文献：
  名称：

  Photoinduced vectorial electron transfer in multilayered Langmuir-Blodgett films of porphyrin and phtalocyanine derivatives

  摘要：

  A series of new phtalocyanines and phtalocyanine-fullerene dyads was synthesized. The dyads were transferred to solid substrates in the form of the Langmuir-Blodgett films. Poly(hexylthiophene) (PHT) and/or phtalocyanine (B6PH) were used as secondary electron donors in the multilayered structures, together with molecules of phtalocyanine-fullerene (B6PF) or porphyrin-fullerene (DHD6ee) dyads in a matrix of octadecylamine (ODA) molecules in a ratio of 1: 9. Directed photoinduced electron transfer in films was studied by means of the time-resolved Maxwell displacement charge method. It was established that the addition of a monolayer of molecules of the secondary B6PH donor to a monolayer of molecules of the DHD6ee/ODA (1: 9) dyad resulted in a thirty-fold increase in the sample's photovoltaic response; it did not, however, change the recombination rate of the charges as compared to a single monolayer of the dyad molecules. In the case of bilayer samples consisting of B6PF/ODA (1: 9) and PHT/ODA (3: 2) monolayers, both quantities increased. The absorption of visible light over a wide spectral range was achieved via the use of three-component (PHT, B6PH and DHD6ee) multilayered structures. The relative sensitivities of the samples to excitation radiation were assessed and the efficiencies of their transformation of light energy to electric potential were compared. The largest sensitivity values were obtained for three-component samples prepared from PHT, B6PH, and DHD6ee monolayers in which the sensitivity value was 500 times larger than that for a separate monolayer of DHD6ee dyad molecules.

  DOI：

  10.1134/s0036024410070253
• 作为产物：
  描述：

  1,4,8,11,15,18-hexabutoxy-23-[3-(hydroxymethyl)phenoxy]phthalocyanine 、 氯甲酰乙酸乙酯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 14.0h， 以91%的产率得到1,4,5,8,9,12-hexabutoxy-14-[3-(ethylmalonateoxymethyl)phenoxy]phtalocyanine
  参考文献：
  名称：

  Photoinduced vectorial electron transfer in multilayered Langmuir-Blodgett films of porphyrin and phtalocyanine derivatives

  摘要：

  A series of new phtalocyanines and phtalocyanine-fullerene dyads was synthesized. The dyads were transferred to solid substrates in the form of the Langmuir-Blodgett films. Poly(hexylthiophene) (PHT) and/or phtalocyanine (B6PH) were used as secondary electron donors in the multilayered structures, together with molecules of phtalocyanine-fullerene (B6PF) or porphyrin-fullerene (DHD6ee) dyads in a matrix of octadecylamine (ODA) molecules in a ratio of 1: 9. Directed photoinduced electron transfer in films was studied by means of the time-resolved Maxwell displacement charge method. It was established that the addition of a monolayer of molecules of the secondary B6PH donor to a monolayer of molecules of the DHD6ee/ODA (1: 9) dyad resulted in a thirty-fold increase in the sample's photovoltaic response; it did not, however, change the recombination rate of the charges as compared to a single monolayer of the dyad molecules. In the case of bilayer samples consisting of B6PF/ODA (1: 9) and PHT/ODA (3: 2) monolayers, both quantities increased. The absorption of visible light over a wide spectral range was achieved via the use of three-component (PHT, B6PH and DHD6ee) multilayered structures. The relative sensitivities of the samples to excitation radiation were assessed and the efficiencies of their transformation of light energy to electric potential were compared. The largest sensitivity values were obtained for three-component samples prepared from PHT, B6PH, and DHD6ee monolayers in which the sensitivity value was 500 times larger than that for a separate monolayer of DHD6ee dyad molecules.

  DOI：

  10.1134/s0036024410070253