(5-bromo-15-cyano-10,20-bis(3,5-di-tert-butylphenyl)porphyrinato)zinc(II) | 1023596-52-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: (5-bromo-15-cyano-10,20-bis(3,5-di-tert-butylphenyl)porphyrinato)zinc(II)
• CAS: 1023596-52-2
• 化学式: C₄₉H₅₀BrN₅Zn
• 分子量: 854.264
• InChiKey: GJDUBMRGYXZAIT-XEBKUVGUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  (5-bromo-15-cyano-10,20-bis(3,5-di-tert-butylphenyl)porphyrinato)zinc(II) 、 二乙胺 以 二乙胺 为溶剂， 以81%的产率得到(5-N,N-diethylamino-15-cyano-10,20-bis(3,5-di-tert-butylphenyl)porphyrinato)zinc(II)
  参考文献：
  名称：

  Programmed Metalloporphyrins for Self-Assembly within Light-Harvesting Stacks:  (5,15-Dicyano-10,20-bis(3,5-di-tert-butylphenyl)porphyrinato)zinc(II) and Its Push−Pull 15-N,N-Dialkylamino-5-cyano Congeners Obtained by a Facile Direct Amination

  摘要：

  The title dicyano compound was synthesized via cyanation and it self-assembles in nonpolu solvents giving red-shifted and broad absorption maxima just as the bacteriochlorophylls which are encountered in the lightharvesting organelles of early photosynthetic bacteria. In the crystal, stacks are formed through a hierarchic combination of.7r-stacking and a CN-Zn electrostatic interaction. Push-pull 15-NN-dialkylamino-5-cyano congeners could be obtained in high yields using a solvent- and catalyst-free direct amination of mesobromoporphyrins. Importantly, the fluorescence of the self-assembled species due to the very orderly manner in which the chromophores are arranged is not entirely quenched and has a surprisingly long lifetime of over 1 ns. This lends hope of using the trapped energy in biornimetic hybrid solar cells.

  DOI：

  10.1021/jp801510b
• 作为产物：
  描述：

  N-溴代丁二酰亚胺(NBS) 、 (5-cyano-10,20-bis(3,5-di-tert-butylphenyl)porphyrinato)zinc(II) 以 吡啶 、 二氯甲烷 为溶剂， 以70%的产率得到(5-bromo-15-cyano-10,20-bis(3,5-di-tert-butylphenyl)porphyrinato)zinc(II)
  参考文献：
  名称：

  Programmed Metalloporphyrins for Self-Assembly within Light-Harvesting Stacks:  (5,15-Dicyano-10,20-bis(3,5-di-tert-butylphenyl)porphyrinato)zinc(II) and Its Push−Pull 15-N,N-Dialkylamino-5-cyano Congeners Obtained by a Facile Direct Amination

  摘要：

  The title dicyano compound was synthesized via cyanation and it self-assembles in nonpolu solvents giving red-shifted and broad absorption maxima just as the bacteriochlorophylls which are encountered in the lightharvesting organelles of early photosynthetic bacteria. In the crystal, stacks are formed through a hierarchic combination of.7r-stacking and a CN-Zn electrostatic interaction. Push-pull 15-NN-dialkylamino-5-cyano congeners could be obtained in high yields using a solvent- and catalyst-free direct amination of mesobromoporphyrins. Importantly, the fluorescence of the self-assembled species due to the very orderly manner in which the chromophores are arranged is not entirely quenched and has a surprisingly long lifetime of over 1 ns. This lends hope of using the trapped energy in biornimetic hybrid solar cells.

  DOI：

  10.1021/jp801510b