2-(4'-ethoxyphenyl)-4,4,5,5-tetramethylimidazoline-3-oxide-1-oxyl | 1148005-27-9

• 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'-ethoxyphenyl)-4,4,5,5-tetramethylimidazoline-3-oxide-1-oxyl
• 英文别名: 4'-ethoxy-phenyl-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide
• CAS: 1148005-27-9
• 化学式: C₁₅H₂₁N₂O₃
• 分子量: 277.343
• InChiKey: MVBBFCFUIZBEDJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.56
• 重原子数：
  20.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  58.44
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  Dy(hfac)₃*2H₂O 、 2-(4'-ethoxyphenyl)-4,4,5,5-tetramethylimidazoline-3-oxide-1-oxyl 以 正庚烷 为溶剂， 以85%的产率得到[Dy(hexafluoroacetylacetonate)3(2-(4'-ethoxyphenyl)-4,4,5,5-tetramethylimidazoline-3-oxide-1-oxyl)2]
  参考文献：
  名称：

  Magnetic Anisotropy of Dysprosium(III) in a Low-Symmetry Environment: A Theoretical and Experimental Investigation

  摘要：

  A mixed theoretical and experimental approach was used to determine the local magnetic anisotropy of the dysprosium(III) ion in a low-symmetry environment. The susceptibility tensor of the monomeric species having the formula [Dy(hfac)(3)(NIT-C6H4-OEt)(2)], which contains nitronyl nitroxide (NIT-R) radicals, was determined at various temperatures through angle-resolved magnetometry. These results are in agreement with ab initio calculations performed using the complete active space self-consistent field (CASSCF) method, validating the predictive power of this theoretical approach for complex systems containing rare-earth ions, even in low-symmetry environments. Susceptibility measurements performed with the applied field along the easy axis eventually permitted a detailed analysis of the temperature and field dependence of the magnetization, providing evidence that the Dy ion transmits an antiferromagnetic interaction between radicals but that the Dy-radical interaction is ferromagnetic.

  DOI：

  10.1021/ja8100038

文献信息

• Structural design and magnetic properties study on two nitronyl nitroxide radicals–MnII complexes with hetero chain or mononuclear tri-spin structures
  作者：Na Zhou、Ya-Li Wang、Hai-Li Wang、Wen-Jiao Li、Zhilin Guo、Yue Ma、Li-Cun Li、Qing-Lun Wang、Peng Cheng、Dai-Zhang Liao

  DOI：10.1016/j.poly.2014.12.032

  日期：2015.3

  Two Mn(II) complexes based on two nitronyl nitroxide radicals with different substituent R groups have been synthesized, and characterized structurally and magnetically: [[Mn(hfac)2]3(NITPyOMe)2] (1) (hfac = hexafluoroacetylacetonate, NITPyOMe = 2-(5′-(2″-methoxy)pyridyl)-4,4,5,5-tetramethylimidazozoline-1-oxyl-3-oxide) and [[Mn(hfac)2]3(NITPhOEt)2] (2) (NITPhOEt = 4′-ethoxyphenyl-4,4,5,5- tetra-m

  合成了两种基于具有两个不同取代基R基团的亚硝酰基硝基氧自由基的Mn（II）配合物，并在结构和磁性上进行了表征：[[Mn（hfac）2 ] 3（NITPyOMe）2 ]（1）（hfac =六氟乙酰丙酮，NITPyOMe ＝ 2-（5'-（2″-甲氧基）吡啶基）-4,4,5,5-四甲基咪唑并啉-1-氧基-3-氧化物）和[[Mn（hfac）2 ] 3（NITPhOEt）2 ]（2）（NITPhOEt ＝ 4'-乙氧基苯基-4,4,5,5-四甲基咪唑啉-1-氧基1-3氧化物）。X射线晶体结构分析表明，用施主N原子修饰取代基R基团有助于获得一维Mn（hfac）2桥连的[Rad–Mn（hfac）2 ] 2链配合物1，而NITPhOEt自由基的大位阻会诱导配合物2为单核三旋化合物，其中中心Mn（II）离子由两个hfac和两个NITPhOEt自由基配位。可变温度磁化率研究表明，在两种配合物中，Mn（II）
• A monometallic tri-spin single-molecule magnet based on rare earth radicals
  作者：Na Zhou、Yue Ma、Chao Wang、Gong Feng Xu、Jin-Kui Tang、Jin-Xia Xu、Shi-Ping Yan、Peng Cheng、Li-Cun Li、Dai-Zheng Liao

  DOI：10.1039/b908639k

  日期：——

  A mononuclear tri-spin single-molecule magnet based on the rare earth radical [Tb(hfac)3(NITPhOEt)2] (NITPhOEt = 4′-ethoxy-phenyl-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide) has been synthesized, structurally characterized and the alternating current signals show a slow relaxation of magnetization and frequency-dependent signals.

  我们合成了一种基于稀土基[Tb(hfac)3(NITPhOEt)2]（NITPhOEt = 4′-乙氧基苯基-4,4,5,5-四甲基咪唑啉-1-氧-3-氧化物）的单核三自旋单分子磁体，并对其进行了结构表征，其交变电流信号显示出缓慢的磁化弛豫和频率依赖性信号。
• Two tri-spin complexes based on gadolinium and nitronyl nitroxide radicals: Structure and ferromagnetic interactions
  作者：Na Zhou、Yue Ma、Chao Wang、Gong-Feng Xu、Jinkui Tang、Shi-Ping Yan、Dai-Zheng Liao

  DOI：10.1016/j.jssc.2010.02.012

  日期：2010.4

  Three Radical-Ln(III)-Radical complexes based on nitronyl nitroxide radicals have been synthesized, structurally and magnetically characterized: [Gd(hfac)(3)(NITPhOEt)(2)] (1) (hfac=hexafluoroacetylacetonate, and NITPhOEt=4'-ethoxy-phenyl-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide), [Gd(hfac)(3) (NITPhOCH2Ph)(2)] (2) (NITPhOCH2Ph = 4'-benzyloxy-pheny1-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide) and [Lu(hfac)(3)(NITPhOCH2Ph)(2)] (3). The X-ray crystal structure analyses show that the structures of the three compounds are similar and all consist of the isolated molecules, in which central ions Gd-III or Lu-III are coordinated by six oxygen atoms from three hfac and two oxygen atoms from nitronyl radicals. The magnetic studies show that in both of the two Gel complexes, there are ferromagnetic Gd-III-Rad interactions and antiferro-magnetic Rad-Rad interactions in the molecules (with J(Rad-Gd)=0.27 cm(-1), 2.97 cm(-1) for 1: and J(Rad-Gd)=0.62 cm(-1), j(Rad-Rad)=7.01 cm(-1) for 2). An analogous complex of [Lu(hfac)(3) (NITPhOCH2Ph)(2)] (3) containing diamagnetic Lu-III ions has also been introduced for further demonstrating the nature of magnetic coupling between radicals. (C) 2010 Elsevier Inc. All rights reserved.