2-(4-dimethylaminophenyliminomethyl)-5-nitrophenol | 692244-97-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(4-dimethylaminophenyliminomethyl)-5-nitrophenol
• 英文别名: 2-[[4-(Dimethylamino)phenyl]iminomethyl]-5-nitrophenol；2-[[4-(dimethylamino)phenyl]iminomethyl]-5-nitrophenol
• CAS: 692244-97-6
• 化学式: C₁₅H₁₅N₃O₃
• 分子量: 285.302
• InChiKey: PZBXOUNJVYVREH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  85.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(4-dimethylaminophenyliminomethyl)-5-nitrophenol 、 在 sodium acetate 、 potassium carbonate 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 以55%的产率得到[Pd(II)(MeO-p-C6H4-p-COO-p-C6H3-p-CHN-p-C6H4-p-OMe)(2-(4-dimethylaminophenyliminomethyl)-5-nitrophenol)]
  参考文献：
  名称：

  Second order molecular nonlinearities in new orthopalladated push–pull chromophores

  摘要：

  Three new orthopalladated chromophores based on push-pull pi conjugated ligands have been prepared and characterized. The second order molecular NLO activity has been determined by EFISH measurements giving mu(g)/beta values up to 610 x 10(-48) esu at an incident laser wavelength of 1.907 mum. The X-ray structures of two different polymorphs of one chromophore are also reported and polymorphism is discussed in terms of conformational changes. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2003.06.020

文献信息

• Second order molecular nonlinearities in new orthopalladated push–pull chromophores
  作者：Roberto Centore、Alain Fort、Barbara Panunzi、Antonio Roviello、Angela Tuzi

  DOI：10.1016/j.ica.2003.06.020

  日期：2004.3

  Three new orthopalladated chromophores based on push-pull pi conjugated ligands have been prepared and characterized. The second order molecular NLO activity has been determined by EFISH measurements giving mu(g)/beta values up to 610 x 10(-48) esu at an incident laser wavelength of 1.907 mum. The X-ray structures of two different polymorphs of one chromophore are also reported and polymorphism is discussed in terms of conformational changes. (C) 2003 Elsevier B.V. All rights reserved.