3-((1Z,4Z,9Z,15Z)-12-{2-[3-(4-Dimethylamino-phenyl)-propoxycarbonyl]-ethyl}-7,17-diethyl-3,8,13,18-tetramethyl-porphyrin-2-yl)-propionic acid 2-(3-methyl-1,4-dioxo-1,4-dihydro-naphthalen-2-ylsulfanyl)-ethyl ester | 126956-54-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚和异茚
• 英文名称: 3-((1Z,4Z,9Z,15Z)-12-{2-[3-(4-Dimethylamino-phenyl)-propoxycarbonyl]-ethyl}-7,17-diethyl-3,8,13,18-tetramethyl-porphyrin-2-yl)-propionic acid 2-(3-methyl-1,4-dioxo-1,4-dihydro-naphthalen-2-ylsulfanyl)-ethyl ester
• CAS: 126956-54-5
• 化学式: C₅₈H₆₃N₅O₆S
• 分子量: 958.234
• InChiKey: IPJZLUIYTVDDGA-JDVNGLCDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.35
• 重原子数：
  70.0
• 可旋转键数：
  17.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  147.34
• 氢给体数：
  2.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  zinc diacetate 、 3-((1Z,4Z,9Z,15Z)-12-{2-[3-(4-Dimethylamino-phenyl)-propoxycarbonyl]-ethyl}-7,17-diethyl-3,8,13,18-tetramethyl-porphyrin-2-yl)-propionic acid 2-(3-methyl-1,4-dioxo-1,4-dihydro-naphthalen-2-ylsulfanyl)-ethyl ester 以 甲醇 为溶剂， 以100%的产率得到
  参考文献：
  名称：

  Mechanism of charge transfer in the molecular DPQ complex studied by time-resolved fluorescence spectroscopy

  摘要：

  The pathways of charge separation in the dimethylaniline-mesoporphyrin II-naphthoquinone triad DPQ and its Zn complex were established. The rate constants of electron transfer from P and ZnP to Q were measured to be k = 1.5 x 10(9) s-1 and k > 5 x 10(10) s-1, respectively, from the results of picosecond fluorescence spectroscopy. The transformation of the DPQ and DZnPQ triads to the reduced form by NaBH4 treatment results in blocking of the electron-transfer channel from both P and ZnP to Q. The transformation of the DPQ and DZnPQ triads to the reduced forms by NaBH4 results in blocking of the electron-transfer channel from both P and ZnP to Q. The role of structural and conformational changes of triads in the electron-transfer process is discussed.

  DOI：

  10.1021/j100170a011
• 作为产物：
  描述：

  3-[4-(二甲基氨基)苯基]-2-丙烯酸甲酯 在 4-二甲氨基吡啶 、 lithium aluminium tetrahydride 、 二碳酸二叔丁酯 、 氢气 作用下， 生成 3-((1Z,4Z,9Z,15Z)-12-{2-[3-(4-Dimethylamino-phenyl)-propoxycarbonyl]-ethyl}-7,17-diethyl-3,8,13,18-tetramethyl-porphyrin-2-yl)-propionic acid 2-(3-methyl-1,4-dioxo-1,4-dihydro-naphthalen-2-ylsulfanyl)-ethyl ester
  参考文献：
  名称：

  Mechanism of charge transfer in the molecular DPQ complex studied by time-resolved fluorescence spectroscopy

  摘要：

  The pathways of charge separation in the dimethylaniline-mesoporphyrin II-naphthoquinone triad DPQ and its Zn complex were established. The rate constants of electron transfer from P and ZnP to Q were measured to be k = 1.5 x 10(9) s-1 and k > 5 x 10(10) s-1, respectively, from the results of picosecond fluorescence spectroscopy. The transformation of the DPQ and DZnPQ triads to the reduced form by NaBH4 treatment results in blocking of the electron-transfer channel from both P and ZnP to Q. The transformation of the DPQ and DZnPQ triads to the reduced forms by NaBH4 results in blocking of the electron-transfer channel from both P and ZnP to Q. The role of structural and conformational changes of triads in the electron-transfer process is discussed.

  DOI：

  10.1021/j100170a011