1,3-dihydroxy-4,6-bis(4,4,5,5-tetramethylimidazoline-1-oxyl-2-yl)benzene | 945402-53-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: 1,3-dihydroxy-4,6-bis(4,4,5,5-tetramethylimidazoline-1-oxyl-2-yl)benzene
• CAS: 945402-53-9
• 化学式: C₂₀H₂₈N₄O₄
• 分子量: 388.467
• InChiKey: LUMZEYUFMVDMTJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.03
• 重原子数：
  28.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  111.46
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  1,3-dihydroxy-4,6-bis(4,4,5,5-tetramethylimidazoline-1-oxyl-2-yl)benzene 、 copper diacetate 以 甲醇 、 ammonium hydroxide 、 二氯甲烷 为溶剂， 以54%的产率得到[1,3-dihydroxy-4,6-bis(4,4,5,5-tetramethylimidazoline-1-oxyl-2-yl)benzene(-2H)]*Cu
  参考文献：
  名称：

  Preparation and magnetic properties of 4,6-bis(imino nitroxide)-substituted resorcinol and its Cu-complex

  摘要：

  A novel bis(imino nitroxide)-substituted resorcinol 3H, that has two metal-binding sites with two pairs of the phenolate anion and the imino nitrogen atom, was prepared. The powdered sample of 3H showed an intramolecular ferromagnetic interaction (J/k(B) +5 K) between two (imino nitroxide)s through a m-phenylene bridge and a weak intermolecular antiferromagnetic interaction (J/k(B) = 0.9 K). The reaction of 3H with copper acetate in methanolic ammonia was examined to give a hardly soluble Cu-complex that exhibited ferromagnetic behavior in relatively high temperatures (298-55 K). (c) 2006 Published by Elsevier Ltd.

  DOI：

  10.1016/j.poly.2006.09.058