| 1476785-63-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• CAS: 1476785-63-3
• 化学式: C₂₅H₂₄BrNO₂
• 分子量: 450.375
• InChiKey: ZGZLSSBDYITBFU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.39
• 重原子数：
  29.0
• 可旋转键数：
  8.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  23.39
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  4-乙烯基吡啶 、 在 palladium diacetate 、 三乙胺 、 三(邻甲基苯基)磷 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以84%的产率得到9-(2-(2-methoxyethoxy)ethyl)-3-(4-(2-(pyridin-4-yl)vinyl)styryl)-9H-carbazole
  参考文献：
  名称：

  Fluorescence-Enhanced Chemosensor for Metal Cation Detection Based on Pyridine and Carbazole

  摘要：

  A series of donor-acceptor systems incorporating a carbazole moiety as the donating unit and pyridine moiety as the accepting unit have been designed and synthesized. The spectroscopic and electrochemical behaviors of the carbazole derivatives demonstrate that the carbazole unit interacts with the electron-accepting group through the pi-conjugated spacer, thus leading to the intramolecular charge transfer (ICT). The pyridine-substituted carbazole derivatives show significant sensing and coordinating properties toward a wide range of metal cations. Compound S2 exhibits fluorescence enhancement upon association with transition metal cations, and compound V3 shows high selectivity for Cu2+ among this series of materials. DFT calculations indicate the different association abilities of the dyes and the enhancement of ICT upon addition of the metal cations.

  DOI：

  10.1021/jo401808c
• 作为产物：
  描述：

  9-(2-(2-methoxyethoxy)ethyl)-9H-carbazole-3-carbaldehyde 、 4-溴苄基亚磷酸二乙酯 在 sodium hydride 作用下， 以 四氢呋喃 、 mineral oil 为溶剂， 反应 0.67h， 以61%的产率得到
  参考文献：
  名称：

  Fluorescence-Enhanced Chemosensor for Metal Cation Detection Based on Pyridine and Carbazole

  摘要：

  A series of donor-acceptor systems incorporating a carbazole moiety as the donating unit and pyridine moiety as the accepting unit have been designed and synthesized. The spectroscopic and electrochemical behaviors of the carbazole derivatives demonstrate that the carbazole unit interacts with the electron-accepting group through the pi-conjugated spacer, thus leading to the intramolecular charge transfer (ICT). The pyridine-substituted carbazole derivatives show significant sensing and coordinating properties toward a wide range of metal cations. Compound S2 exhibits fluorescence enhancement upon association with transition metal cations, and compound V3 shows high selectivity for Cu2+ among this series of materials. DFT calculations indicate the different association abilities of the dyes and the enhancement of ICT upon addition of the metal cations.

  DOI：

  10.1021/jo401808c