4-methyl-N-[2-[(E)-2-pyridyliminomethyl]phenyl]benzenesulfonamide

• 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: 4-methyl-N-[2-[(E)-2-pyridyliminomethyl]phenyl]benzenesulfonamide
• 英文别名: 4-methyl-N-{2-[(E)-(pyridin-2-ylimino)methyl]phenyl}benzenesulfonamide；4-methyl-N-[2-[(E)-pyridin-2-yliminomethyl]phenyl]benzenesulfonamide
• 化学式: C₁₉H₁₇N₃O₂S
• 分子量: 351.429
• InChiKey: GIMLPRYIRCIURM-KGENOOAVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  79.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-methyl-N-[2-[(E)-2-pyridyliminomethyl]phenyl]benzenesulfonamide 、 zinc(II) acetate dihydrate 以 乙醇 为溶剂， 反应 1.0h， 以84%的产率得到bis{4-methyl-N-[2-[(E)-2-pyridyliminomethyl]phenyl]benzenesulfonamide}zinc(II)
  参考文献：
  名称：

  Synthesis, structure, photo- and electroluminescent properties of bis{(4-methyl-N-[2-[(E)-2-pyridyliminomethyl]phenyl)]benzenesulfonamide}zinc(II)

  摘要：

  The synthesis, structure and spectroscopic properties of luminescent Zn(II) complex containing 4-methyl-N42-[(E)-pyridinylmethyl]phenyl]benzosulfimide ligand are described. The Zn(II) complex was characterized by single-crystal X-ray diffraction study. Time-dependent density functional theory calculations at the B3LYP/6-31G* level were performed on Zn(II) complex to interpretation its experimental UV-Vis absorption spectrum. OLED device with Zn(II) complex as light-emitting layer has been fabricated. The electroluminescent spectrum of OLED showed a dominant yellow emission at 525 nm (Commission Internationale de l'eclairage (CIE) coordinates x = 0.409 and y = 0.506) and a weak shoulder at 650 nm without any other distinguishing emission from host or adjacent layers. The fabricated OLED generated luminance of more than 1000 cdim(2) at 16 V, current density 600 mA/cm(2) and rather low turn on voltage of ca. 4 V and power efficiency 1 lm/W. (C) 2017 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2017.05.045
• 作为产物：
  描述：

  2-氨基吡啶 、 N-(2-甲酰基苯基)-4-甲基苯磺酰胺 以 甲苯 为溶剂， 反应 1.0h， 以78%的产率得到4-methyl-N-[2-[(E)-2-pyridyliminomethyl]phenyl]benzenesulfonamide
  参考文献：
  名称：

  Synthesis, structure, photo- and electroluminescent properties of bis{(4-methyl-N-[2-[(E)-2-pyridyliminomethyl]phenyl)]benzenesulfonamide}zinc(II)

  摘要：

  The synthesis, structure and spectroscopic properties of luminescent Zn(II) complex containing 4-methyl-N42-[(E)-pyridinylmethyl]phenyl]benzosulfimide ligand are described. The Zn(II) complex was characterized by single-crystal X-ray diffraction study. Time-dependent density functional theory calculations at the B3LYP/6-31G* level were performed on Zn(II) complex to interpretation its experimental UV-Vis absorption spectrum. OLED device with Zn(II) complex as light-emitting layer has been fabricated. The electroluminescent spectrum of OLED showed a dominant yellow emission at 525 nm (Commission Internationale de l'eclairage (CIE) coordinates x = 0.409 and y = 0.506) and a weak shoulder at 650 nm without any other distinguishing emission from host or adjacent layers. The fabricated OLED generated luminance of more than 1000 cdim(2) at 16 V, current density 600 mA/cm(2) and rather low turn on voltage of ca. 4 V and power efficiency 1 lm/W. (C) 2017 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2017.05.045

文献信息

• Synthesis, structure, photo- and electroluminescent properties of bis{(4-methyl-N-[2-[(E)-2-pyridyliminomethyl]phenyl)]benzenesulfonamide}zinc(II)
  作者：Anatolii S. Burlov、Eugenii I. Mal'tsev、Valery G. Vlasenko、Dmitrii A. Garnovskii、Artem V. Dmitriev、Dmitrii A. Lypenko、Anatoly V. Vannikov、Pavel V. Dorovatovskii、Vladimir A. Lazarensko、Yan V. Zubavichus、Victor N. Khrustalev

  DOI：10.1016/j.poly.2017.05.045

  日期：2017.9

  The synthesis, structure and spectroscopic properties of luminescent Zn(II) complex containing 4-methyl-N42-[(E)-pyridinylmethyl]phenyl]benzosulfimide ligand are described. The Zn(II) complex was characterized by single-crystal X-ray diffraction study. Time-dependent density functional theory calculations at the B3LYP/6-31G* level were performed on Zn(II) complex to interpretation its experimental UV-Vis absorption spectrum. OLED device with Zn(II) complex as light-emitting layer has been fabricated. The electroluminescent spectrum of OLED showed a dominant yellow emission at 525 nm (Commission Internationale de l'eclairage (CIE) coordinates x = 0.409 and y = 0.506) and a weak shoulder at 650 nm without any other distinguishing emission from host or adjacent layers. The fabricated OLED generated luminance of more than 1000 cdim(2) at 16 V, current density 600 mA/cm(2) and rather low turn on voltage of ca. 4 V and power efficiency 1 lm/W. (C) 2017 Elsevier Ltd. All rights reserved.