2-(3-pyridyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide | 904233-51-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-(3-pyridyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide
• 英文别名: 4,4,5,5-tetramethyl-2-(3-pyridyl)-2-imidazoline N(1)-oxylN(3)-oxide；3-(1-Hydroxy-4,4,5,5-tetramethyl-3-oxidoimidazol-3-ium-2-yl)pyridine
• CAS: 904233-51-8
• 化学式: C₁₂H₁₇N₃O₂
• 分子量: 235.286
• InChiKey: VMEAHNSYOLLUDZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  65.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(3-pyridyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide 、 mercury dibromide 以 乙醇 为溶剂， 生成
  参考文献：
  名称：

  溴化汞（II）与吡啶基取代的N-氧基N'-氧化物（亚硝酰基硝基氧化物）的配合物的晶体结构和磁性

  摘要：

  已确定了四种新型HgBr 2配合物的晶体结构，并研究了其具有吡啶基取代的“亚硝酰基氮氧化物”，4,4,5,5-四甲基-2-（4-吡啶基）-（L 1），- 2的磁性-（2-吡啶基）-（L 2），- 2-（3-吡啶基）-（L 3）和-2-（6-甲基-2-吡啶基）-2-咪唑啉N 1-氧基N 3-氧化物（L 4）。配合物1，[HgBr 2 L 1 ]，是单核的，其中的汞（Ⅱ）具有平面的三角配位核，由吡啶基的两个溴原子和一个氮原子组成。2，[HgBr 2 L 2 ] Hg II原子具有扭曲的四面体四配位，涉及两个溴原子，并被L 2配体的氧原子和氮原子螯合。配合物3 [（（HgBr）3 L 3 2 ]）是曲折的聚合物链，具有扭曲的T形HgBr 2 L 3单元和自组装，涉及通过氮氧自由基的氧原子配位。配合物4 [（（HgBr 2）3 L 4 2 ]）是具有HgBr 2 L 4部分和HgBr 2的准线性链核心。低温磁化率测量值（4–300

  DOI：

  10.1039/a704999d

文献信息

• Magneto–structural correlation of dimeric copper(II) carboxylates with pyridyl-substituted nitronyl nitroxides
  作者：Yun-Ho Chung、Ho-Hsiang Wei、Gene-Hsiang Lee、Yu Wang

  DOI：10.1016/s0020-1693(99)00219-4

  日期：1999.10

  The synthesis, crystal structure and magneto-structural correlations of three new paddle-wheel type dicopper(II) carboxylate complexes with pyridyl-substituted nitronyl nitroxides, [Cu-2(mu-Me3CCO2)(4)(NITpPy)(2)](C6H6) (1), [Cu-2(mu-CH3CO2)(4)(NITpPy)(2)] (2), and [Cu-2(mu-C6H6CH2CO2)(4)(NITmPy)(2)] (3) (NITpPy = 4,4,5,5-tetramethyl-2-(4-pyridyl)-2-imidazoline-N-1-oxyl N-3-oxide, NITmPy = 4,4,5, 5-tetramethyl-2-(3-pyridyl)-2-imidazoline-N-1-oxyl N-3-oxide) are reported. Structures of complexes 1-3 consist of a symmetrical dimeric Cu(II) carboxylate paddle-wheel core and pyridyl nitrogen atoms of radical ligands at the apical position. Cryomagnetic susceptibilities were measured in the temperature range 4-300 K. According to the structural results, the magnetic data are discussed in terms of four S = 1/2 spin units involving one strong coupled dicopper(II) unit plus two monomer nitroxyl radicals. It is found that two paddle-wheel copper(II) ions are strongly coupled antiferromagnetically with J = - 192, - 172, and - 160 cm(-1) for complexes 1, 2, and 3, respectively, while the interactions between copper(II) and the radicals are very weak. The magneto-structural correlations for complexes 1, 2, and 3 are discussed on the basis of the structural parameters and magnetic data for the complexes (C) 1999 Elsevier Science S.A. All rights reserved.
• [(Cu-Radical)₂-Ln]: Structure and Magnetic Properties of a Hetero-tri-spin Chain of Rings (Ln = Y^III, Gd^III, Tb^III, Dy^III)
  作者：Xiufeng Wang、Peng Hu、Licun Li、Jean-Pascal Sutter

  DOI：10.1021/acs.inorgchem.5b01761

  日期：2015.10.5

  Novel hetero-tri-spin coordination polymers formed of ring-shaped Cu-nitronyl nitroxide spin clusters and Ln(III) linkers are reported. These mixed 2p-3d-4f compounds of formula [Ln(hfac)(3)] [Cu(hfac)(2)(NIT-3Py)](2)center dot C6H14}(n) [Ln(III) = Y (1), Gd (2), Tb (3), and Dy (4); NIT-3Py = 2-(3-pyridyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide; hfac = hexa-fluoroacetylacetonate], exhibit a ID chain structure consisting of [Cu(NIT-3Py)](2) rings linked by Ln(hfac)3 units. Their magnetic behavior is characteristic for ferromagnetic interactions between the metal centers and the coordinated radical units. The Tb derivative was found to exhibit slow relaxation of its magnetization.
• Crystal structures and magnetic properties of mercury(II) bromide complexes with pyridyl-substituted N-oxyl N′-oxides (nitronyl nitroxides)
  作者：Chin-Jhan Lee、Chian-Hong Huang、Ho-Hsiang Wei、Yi-Hung Liu、Gene-Hsiang Lee、Yu Wang

  DOI：10.1039/a704999d

  日期：——

  The crystal structures have been determined and magnetic properties investigated for four novel HgBr2 complexes with pyridyl-substituted ‘nitronyl nitroxides’, 4,4,5,5-tetramethyl-2-(4-pyridyl)-(L1), -2-(2-pyridyl)-(L2), -2-(3-pyridyl)-(L3) and -2-(6-methyl-2-pyridyl)-2-imidazoline N 1-oxyl N 3-oxide (L4). Complex 1, [HgBr2L1], is mononuclear, in which mercury(II) has planar trigonal co-ordination

  已确定了四种新型HgBr 2配合物的晶体结构，并研究了其具有吡啶基取代的“亚硝酰基氮氧化物”，4,4,5,5-四甲基-2-（4-吡啶基）-（L 1），- 2的磁性-（2-吡啶基）-（L 2），- 2-（3-吡啶基）-（L 3）和-2-（6-甲基-2-吡啶基）-2-咪唑啉N 1-氧基N 3-氧化物（L 4）。配合物1，[HgBr 2 L 1 ]，是单核的，其中的汞（Ⅱ）具有平面的三角配位核，由吡啶基的两个溴原子和一个氮原子组成。2，[HgBr 2 L 2 ] Hg II原子具有扭曲的四面体四配位，涉及两个溴原子，并被L 2配体的氧原子和氮原子螯合。配合物3 [（（HgBr）3 L 3 2 ]）是曲折的聚合物链，具有扭曲的T形HgBr 2 L 3单元和自组装，涉及通过氮氧自由基的氧原子配位。配合物4 [（（HgBr 2）3 L 4 2 ]）是具有HgBr 2 L 4部分和HgBr 2的准线性链核心。低温磁化率测量值（4–300