2-(4'-ethoxy-3'-methoxyphenyl)-4,4,5,5-tetramethylimidazoline-1-oxy-3-oxide | 1381857-53-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-(4'-ethoxy-3'-methoxyphenyl)-4,4,5,5-tetramethylimidazoline-1-oxy-3-oxide
• 英文别名: 2-(4'-ethoxy-3'-methoxyphenyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide；EtVNIT
• CAS: 1381857-53-9
• 化学式: C₁₆H₂₃N₂O₄
• 分子量: 307.37
• InChiKey: NQFAOEAAFYIMFW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.57
• 重原子数：
  22.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  67.67
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  Pr(hfac)3*2H2O 、 2-(4'-ethoxy-3'-methoxyphenyl)-4,4,5,5-tetramethylimidazoline-1-oxy-3-oxide 以 正己烷 、 二氯甲烷 为溶剂， 以29.8%的产率得到Pr(hfac)3(EtVNIT)2
  参考文献：
  名称：

  Three lanthanide-radical complexes: Synthesis, structure and magnetic properties

  摘要：

  Three new lanthanide-radical complexes containing the same radical ligand were successfully synthesized, which all display radical-Ln(III)-radical (Ln = Pr (1), Gd (2), Ho(3)) tri-spin structures. The magnetic studies revealed that, for complex 2, the interactions between the Gd(III) ion and radical are ferromagnetic, while the interaction between two radicals is antiferromagnetic. In complexes 1 and 3, antiferromagnetic couplings exist between the lanthanide ions and radicals. Crown Copyright (C) 2012 Published by Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2012.02.030
• 作为产物：
  描述：

  在 sodium periodate 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 0.17h， 以4.59 g的产率得到2-(4'-ethoxy-3'-methoxyphenyl)-4,4,5,5-tetramethylimidazoline-1-oxy-3-oxide
  参考文献：
  名称：

  Two new lanthanide–radical complexes: synthesis, structure, and magnetic properties

  摘要：

  Two new lanthanide-radical complexes, [Tb(hfac)(3)(EtVNIT)(2)] (1) and [Dy(hfac)(3)(EtVNIT)(2)] (2) (EtVNIT=2-(4'-ethoxy-3'-methoxyphenyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide, hfac=1,1,1,5,5,5-hexafluoroacetylacetonate), were synthesized; both display radical-Ln(III)-radical (Ln=Tb (1), Dy (2)) tri-spin structures. Magnetic studies reveal that interactions between the lanthanide ions and radicals are ferromagnetic.

  DOI：

  10.1080/00958972.2012.705281