2',7'-bis(4-(diphenylamino)phenyl)-9,9'-spirobifluorene-2,7-dicarbaldehyde | 1402418-67-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 2',7'-bis(4-(diphenylamino)phenyl)-9,9'-spirobifluorene-2,7-dicarbaldehyde
• CAS: 1402418-67-0
• 化学式: C₆₃H₄₂N₂O₂
• 分子量: 859.039
• InChiKey: HWBDXDDQLVHGLX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.93
• 重原子数：
  67.0
• 可旋转键数：
  10.0
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.02
• 拓扑面积：
  40.62
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2',7'-bis(4-(diphenylamino)phenyl)-9,9'-spirobifluorene-2,7-dicarbaldehyde 在 N-甲基吡咯烷酮 、 盐酸羟胺 作用下， 反应 12.0h， 以80%的产率得到2',7'-bis(4-(diphenylamino)phenyl)-9,9'-spirobi[fluorene]-2,7-dicarbonitrile
  参考文献：
  名称：

  Improved Nonlinearity–Transparency–Thermal Stability Trade-Off with Spirobifluorene-Bridged Donor-π-Acceptor Chromophores

  摘要：

  A series of novel 9,9'-spirobifluorene-bridged donor-pi-acceptor chromophores containing triarylamine moieties were easily synthesized starting from the readily available reagent 4,4'-dimethylbiphenyl. These chromophores were found to combine excellent transparency in the visible region, high thermal stabilities, and large optical nonlinearity.

  DOI：

  10.1021/ol302443z
• 作为产物：
  描述：

  2,7-dibromo-2',7'-bis(bromomethyl)-9,9'-spirobifluorene 在 palladium diacetate 、 碳酸氢钠 、 potassium carbonate 、 三苯基膦 作用下， 以 四氢呋喃 、 二甲基亚砜 为溶剂， 反应 48.0h， 生成 2',7'-bis(4-(diphenylamino)phenyl)-9,9'-spirobifluorene-2,7-dicarbaldehyde
  参考文献：
  名称：

  Improved Nonlinearity–Transparency–Thermal Stability Trade-Off with Spirobifluorene-Bridged Donor-π-Acceptor Chromophores

  摘要：

  A series of novel 9,9'-spirobifluorene-bridged donor-pi-acceptor chromophores containing triarylamine moieties were easily synthesized starting from the readily available reagent 4,4'-dimethylbiphenyl. These chromophores were found to combine excellent transparency in the visible region, high thermal stabilities, and large optical nonlinearity.

  DOI：

  10.1021/ol302443z