4-Methoxy-benzoic acid 4-{[(Z)-4-methoxy-phenylimino]-methyl}-phenyl ester | 66278-88-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: 4-Methoxy-benzoic acid 4-{[(Z)-4-methoxy-phenylimino]-methyl}-phenyl ester
• 英文别名: [4-[(4-Methoxyphenyl)iminomethyl]phenyl] 4-methoxybenzoate；[4-[(4-methoxyphenyl)iminomethyl]phenyl] 4-methoxybenzoate
• CAS: 66278-88-4
• 化学式: C₂₂H₁₉NO₄
• 分子量: 361.397
• InChiKey: BXGJKWXUNCVSOK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  27
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  57.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-Methoxy-benzoic acid 4-{[(Z)-4-methoxy-phenylimino]-methyl}-phenyl ester 在 sodium acetate 、 potassium carbonate 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 生成 [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