2-(para-acetamidophenyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole 3-oxide 1-oxyl | 942942-28-1

• 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: 2-(para-acetamidophenyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole 3-oxide 1-oxyl
• CAS: 942942-28-1
• 化学式: C₁₅H₂₀N₃O₃
• 分子量: 290.342
• InChiKey: WWWSXAPCGZYDHY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.12
• 重原子数：
  21.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  78.31
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  N-(4-(1,3-dihydroxy-4,4,5,5-tetramethylimidazolidin-2-yl)phenyl)acetamide 在 sodium periodate 作用下， 以 二氯甲烷 、 水 为溶剂， 生成 2-(para-acetamidophenyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole 3-oxide 1-oxyl
  参考文献：
  名称：

  Aminophenylnitronylnitroxides: Highly Networked Hydrogen-Bond Assembly in Organic Radical Materials

  摘要：

  2-(Meta-aminophenyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-3-oxide-1-oxyl (mAPN) and 2-(para-aminophenyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-3-oxide-1-oxyl (pAPN) were synthesized and subjected to magnetostructural analysis. Both form extended hydrogen bonding networks involving both amino NH bonds to radical spin-density bearing nitronylnitroxide NO groups. Their crystallographic assembly motifs and magnetic exchange properties are compared to those of tert-butoxylcarbonyl (BOC) and amide derivatives having only one NH bond. The conversion of pAPN to acid salt derivatives gives a solid that is essentially diamagnetic, although dissolution of the solid shows the radical spin units to be preserved.

  DOI：

  10.1021/cm202303q