2,7,12,17-tetrahexyl-3,13-bis[(trimethylsilyl)etnynyl]porphycene | 1613535-35-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 2,7,12,17-tetrahexyl-3,13-bis[(trimethylsilyl)etnynyl]porphycene
• CAS: 1613535-35-5
• 化学式: C₅₄H₇₈N₄Si₂
• 分子量: 839.411
• InChiKey: ZDQKKEGUVGEGLF-SODOMRIOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.04
• 重原子数：
  60.0
• 可旋转键数：
  20.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  57.36
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  2,7,12,17-tetrahexyl-3,13-bis[(trimethylsilyl)etnynyl]porphycene 在 四丁基氟化铵 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 0.08h， 以93%的产率得到3,13-diethynyl-2,7,12,17-tetrahexylporphycene
  参考文献：
  名称：

  Synthesis and Electrochemical Properties of Porphycene–Diketopyrrolopyrrole Conjugates

  摘要：

  The selective iodination of 2,7,12,17-tetrahexylporphycene 1 was successfully accomplished by using N-iodosuccinimide in the presence of activators to give 3-iodoporphycene 2 and 3,13-diiodoporphycene 3a. These iodinated porphycenes can be used as the substrates for palladium-catalyzed coupling to prepare porphycene-diketopyrrolopyrrole conjugates in two steps. The connection of the diketopyrrolopyrrole units to porphycenes broadened their absorption spectra and increased the intensity of the Q-bands due to the electronic interactions between the porphycene and diketopyrrolopyrrole moieties.

  DOI：

  10.1021/ol5014608
• 作为产物：
  描述：

  2,7,12,17-tetrahexylporphycene 在 N-碘代丁二酰亚胺 、 四(三苯基膦)钯 、 silica gel 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 2.0h， 生成 2,7,12,17-tetrahexyl-3,13-bis[(trimethylsilyl)etnynyl]porphycene
  参考文献：
  名称：

  Synthesis and Electrochemical Properties of Porphycene–Diketopyrrolopyrrole Conjugates

  摘要：

  The selective iodination of 2,7,12,17-tetrahexylporphycene 1 was successfully accomplished by using N-iodosuccinimide in the presence of activators to give 3-iodoporphycene 2 and 3,13-diiodoporphycene 3a. These iodinated porphycenes can be used as the substrates for palladium-catalyzed coupling to prepare porphycene-diketopyrrolopyrrole conjugates in two steps. The connection of the diketopyrrolopyrrole units to porphycenes broadened their absorption spectra and increased the intensity of the Q-bands due to the electronic interactions between the porphycene and diketopyrrolopyrrole moieties.

  DOI：

  10.1021/ol5014608