1,2-bis[3-(N-tert-butyl-N-oxylamino)phenyl]-1,2-bis[4-{N,N-bis(4-methoxyphenyl)amino}phenyl]ethylene | 867198-34-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1,2-bis[3-(N-tert-butyl-N-oxylamino)phenyl]-1,2-bis[4-{N,N-bis(4-methoxyphenyl)amino}phenyl]ethylene
• 英文别名: 1,2-bis[3-(N-tert-butylaminoxyl)phenyl]-1,2-bis[4-{N,N-bis(4-methoxyphenyl)amino}phenyl]ethylene；tert-butyl-[3-[(E)-2-[3-[tert-butyl(oxido)amino]phenyl]-1,2-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]-oxoazanium
• CAS: 867198-34-3
• 化学式: C₆₂H₆₂N₄O₆
• 分子量: 959.197
• InChiKey: WMFIKQRTMWXYFB-BCLHHTJESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15
• 重原子数：
  72
• 可旋转键数：
  18
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  89.8
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  N-3-bromophenyl-N-tert-butyl-N-tert-butyldimethylsiloxyamine 在 吡啶 、 正丁基锂 、 titanium(IV) chloride tetrahydrofuran 、 四丁基氟化铵 、 silver(l) oxide 、 锌 作用下， 以 四氢呋喃 、 正己烷 、 二氯甲烷 为溶剂， 反应 24.05h， 生成 1,2-bis[3-(N-tert-butyl-N-oxylamino)phenyl]-1,2-bis[4-{N,N-bis(4-methoxyphenyl)amino}phenyl]ethylene
  参考文献：
  名称：

  Redox-switching of intramolecular magnetic interaction through π-conjugation mode change of 1,2-bis(4-dianisylamino)-1,2-bis(3-N-oxylamino)-substituted tetraarylethylene

  摘要：

  To develop the redox-switching system of intramolecular magnetic interaction, 1,2-bis[3-(N-tert-butyl-N-oxylamino)phenyl]-1,2-bis[4-{N,N-bis(4-methoxyphenyl)amino)phenyl]ethylene, tetraarylethylene with two nitroxide radical groups at the meta-position, was synthesized, and characterized by the electrochemical method and ESR spectroscopy. Cyclic voltammetry showed the tetraarylethylene core has the lower oxidation potential than the substituted nitroxide radical moiety. ESR spectroscopy in frozen solution revealed that the neutral form shows the fine-structured spectrum characteristic of the spin triplet species, while the dicationic form shows the anisotropic hyperfine-structured spectrum characteristic of the randomly-oriented nitroxide radical, indicating the drastic change of intramolecular magnetic interaction. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2011.02.046

文献信息

• Redox-switching of intramolecular magnetic interaction through π-conjugation mode change of 1,2-bis(4-dianisylamino)-1,2-bis(3-N-oxylamino)-substituted tetraarylethylene
  作者：Yoshiaki Nakano、Akihiro Ito、Kazuyoshi Tanaka

  DOI：10.1016/j.poly.2011.02.046

  日期：2011.11

  To develop the redox-switching system of intramolecular magnetic interaction, 1,2-bis[3-(N-tert-butyl-N-oxylamino)phenyl]-1,2-bis[4-N,N-bis(4-methoxyphenyl)amino)phenyl]ethylene, tetraarylethylene with two nitroxide radical groups at the meta-position, was synthesized, and characterized by the electrochemical method and ESR spectroscopy. Cyclic voltammetry showed the tetraarylethylene core has the lower oxidation potential than the substituted nitroxide radical moiety. ESR spectroscopy in frozen solution revealed that the neutral form shows the fine-structured spectrum characteristic of the spin triplet species, while the dicationic form shows the anisotropic hyperfine-structured spectrum characteristic of the randomly-oriented nitroxide radical, indicating the drastic change of intramolecular magnetic interaction. (C) 2011 Elsevier Ltd. All rights reserved.