2-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]aniline | 380321-30-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]aniline
• CAS: 380321-30-2
• 化学式: C₂₆H₂₃N₃
• 分子量: 377.489
• InChiKey: NAHYTSQIFBGCMH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  27.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]aniline 、 碘甲烷 在 sodium sulfate 、 potassium hydroxide 作用下， 以43%的产率得到4-(diphenylamino)benzaldehyde N-methyl-N-(2methylphenyl)hydrazone
  参考文献：
  名称：

  Study on the influence of methyl groups and their location on properties of triphenylamino-based charge transporting hydrazones

  摘要：

  Methyl substituent effects on the HOMO and LUMO energy levels, and the ability to transport charge and form stable molecular glasses of 4-(diphenylamino) benzaldehyde phenylhydrazones were investigated. Thermal properties, HOMO and LUMO energy levels, and hole mobility values are dependent on the number of methyl substituents and their position in the investigated transporting materials. Surprisingly, however, the presence of methyl groups at any position negatively affects the hole drift mobility of the molecularly doped polymers containing those hydrazones.

  DOI：

  10.1007/s00706-009-0202-y
• 作为产物：
  描述：

  4-二苯胺基苯甲醛 、 (2-甲基苯基)肼 以 甲醇 、 甲苯 为溶剂， 生成 2-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]aniline
  参考文献：
  名称：

  Study on the influence of methyl groups and their location on properties of triphenylamino-based charge transporting hydrazones

  摘要：

  Methyl substituent effects on the HOMO and LUMO energy levels, and the ability to transport charge and form stable molecular glasses of 4-(diphenylamino) benzaldehyde phenylhydrazones were investigated. Thermal properties, HOMO and LUMO energy levels, and hole mobility values are dependent on the number of methyl substituents and their position in the investigated transporting materials. Surprisingly, however, the presence of methyl groups at any position negatively affects the hole drift mobility of the molecularly doped polymers containing those hydrazones.

  DOI：

  10.1007/s00706-009-0202-y

文献信息

• Study on the influence of methyl groups and their location on properties of triphenylamino-based charge transporting hydrazones
  作者：Simona Urnikaite、Maryte Daskeviciene、Tadas Malinauskas、Vygintas Jankauskas、Vytautas Getautis

  DOI：10.1007/s00706-009-0202-y

  日期：2009.12

  Methyl substituent effects on the HOMO and LUMO energy levels, and the ability to transport charge and form stable molecular glasses of 4-(diphenylamino) benzaldehyde phenylhydrazones were investigated. Thermal properties, HOMO and LUMO energy levels, and hole mobility values are dependent on the number of methyl substituents and their position in the investigated transporting materials. Surprisingly, however, the presence of methyl groups at any position negatively affects the hole drift mobility of the molecularly doped polymers containing those hydrazones.