4-[[4-[4-(4-Tert-butylphenyl)-6-[4-(4-tert-butylphenyl)-6-[4-[(4-hydroxyphenyl)diazenyl]phenyl]pyridin-2-yl]pyridin-2-yl]phenyl]diazenyl]phenol | 1227008-49-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 偶氮苯
• 英文名称: 4-[[4-[4-(4-Tert-butylphenyl)-6-[4-(4-tert-butylphenyl)-6-[4-[(4-hydroxyphenyl)diazenyl]phenyl]pyridin-2-yl]pyridin-2-yl]phenyl]diazenyl]phenol
• CAS: 1227008-49-2
• 化学式: C₅₄H₄₈N₆O₂
• 分子量: 813.014
• InChiKey: HMAHEVVLRNHMIP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.2
• 重原子数：
  62
• 可旋转键数：
  11
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  116
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  4-[[4-[4-(4-Tert-butylphenyl)-6-[4-(4-tert-butylphenyl)-6-[4-[(4-hydroxyphenyl)diazenyl]phenyl]pyridin-2-yl]pyridin-2-yl]phenyl]diazenyl]phenol 、 2-[2-(p-tolylsulfonyloxy)undecaethoxy]ethyl 4-methylbenzenesulfonate 在 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 168.0h， 以6.9%的产率得到
  参考文献：
  名称：

  Switching of Molecular Insertion in a Cyclic Molecule via Photo- and Thermal Isomerization

  摘要：

  Two new cyclic ligands were synthesized: a ligand with two trans-azobenzene moieties and one bipyridine moiety, trans(2)-oAB-O13, and a ligand with two trans-azobenzene moieties and two bipyridine moieties, trans(2)-oAB-bpy. Both ligands underwent reversible trans-cis isomerization at the azobenzene moieties. The mole ratios of the trans(2) form :trans-cis form:cis(2) form, evaluated by H-1 NMR spectroscopy of the photostationary states prepared by 1 h illumination, were 0.13:0.27:0.60 (365 nm irradiation) and 0.41:0.47:0.12 (436 nm irradiation) for oAB-O13, and 0.18:0.12:0.70 (365 nm irradiation) and 0.36:0.43:0.21 (436 nm irradiation) for oAB-bpy. When trans(2)-oAB-O13 was mixed with Cu(I), both the bipyridine units and the polyether chains coordinated to the copper center. Addition of a noncyclic bipyridine ligand, trans(2)-oAB-2OH, afforded a bis(bipyridine)copper(I) complex, [Cu(trans(2)-oAB-O13)(trans(2)-oAB-2OH)]BF4. he bis(bipyridine) ligand, trans(2)-oAB-bpy, formed a 1:1 complex with Cu(I), [Cu(trans(2)-oABbpy)]BF4. [Cu(cis(2)-oAB-bpy)]BF4 did not undergo the ligand substitution reaction with a noncyclic ligand with two azobenzene moieties and one bipyridine moiety, oAB, whereas its thermal isomerization in the presence of oAB caused the formation of [Cu(transroAB-bpy)(trans(2)-oAB)]BF4, indicating that the isomerization and ligand exchange reactions synchronized via a conformational change of the cyclic ligand.

  DOI：

  10.1021/ic200145h
• 作为产物：
  描述：

  在 potassium hydroxide 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 43.0h， 以87.5%的产率得到4-[[4-[4-(4-Tert-butylphenyl)-6-[4-(4-tert-butylphenyl)-6-[4-[(4-hydroxyphenyl)diazenyl]phenyl]pyridin-2-yl]pyridin-2-yl]phenyl]diazenyl]phenol
  参考文献：
  名称：

  羟基偶氮苯附加联吡啶-铜络合物体系的酸碱响应光电转换

  摘要：

  我们报告了一种新的 4-羟基偶氮苯附加铜联吡啶络合物 [Cu(oAB-2OH)2]BF4 的合成，它表现出可逆的酸碱响应氧化还原活性光异构化反应...

  DOI：

  10.1246/cl.2010.204