N,N’-bis(1,2,4-triazol-4-yl)-phthalimine | 367927-74-0

• 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: N,N’-bis(1,2,4-triazol-4-yl)-phthalimine
• 英文别名: o-bis[1-(1,2,4-triazolyl)iminomethyl]benzene；N-(1,2,4-triazol-4-yl)-1-[2-(1,2,4-triazol-4-yliminomethyl)phenyl]methanimine
• CAS: 367927-74-0
• 化学式: C₁₂H₁₀N₈
• 分子量: 266.265
• InChiKey: KXEVTQDYVXFWFF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  86.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  iron(II) perchlorate hexahydrate 、 N,N’-bis(1,2,4-triazol-4-yl)-phthalimine 、 lithium 7,7,8,8-tetracyanoquinodimethane 以 乙醇 、 乙腈 为溶剂， 以45%的产率得到[Fe(o-bis[(1,2,4-triazolyl)iminomethyl]benzene)2((NC)2CC6H4C(CN)2)(H2O)]ClO4*2H2O
  参考文献：
  名称：

  SYNTHESES, SPECTRA, AND MAGNETIC PROPERTIES OF Fe(II) COMPLEXES WITH 7,7′,8,8′- TETRACYANOQUINODIMETHANE

  摘要：

  Iron(II) complexes with TCNQ as ligand, Fe(bpy)(2)(ClO4) (TCNQ) . H2O (1), Fe(Mebpy)(2)(ClO4)(TCNQ) . 2H(2)O . C-2 H5OH (2), and Fe(btimb)(2)(ClO4)(TCNQ) . 3H(2)O (3) (where bpy = 2,2'-bipyridine, Mebpy = 4,4'-dimethyl-2,2'-bipyridine. btimb = o-bis[1-(1,2,4-triazolyl)iminomethyl]benzene, and TCNQ = 7,7',8,8'-tetracyano-quinodimethane) were prepared, and their spectroscopic and magnetic properties were studied. The metal ion is coordinated by two molecules of bidentate ligand L (L = bpy, Mebpy or btimb), one mono-dentately coordinated TCNQ(-) anion and one water molecule. The temperature dependence of the magnetic susceptibility of (1) shows antiferromagnetic interaction between high-spin Fe(II) and the TCNQ(-) radical with J = -100.4cm(-1) (where H = -2JS(1) . S-2).

  DOI：

  10.1081/sim-100104790
• 作为产物：
  描述：

  4-氨基-1,2,4-三氮唑 、 邻苯二甲醛 在 溶剂黄146 作用下， 以 甲苯 为溶剂， 反应 24.0h， 以71%的产率得到N,N’-bis(1,2,4-triazol-4-yl)-phthalimine
  参考文献：
  名称：

  苯并噻唑基和苯并咪唑基取代的1-亚氨基异吲哚啉：合成，机理研究和晶体结构测定

  摘要：

  摘要在邻苯二甲醛与取代的2-氨基苯并噻唑和2-氨基苯并咪唑的反应中，制备了新的苯并噻唑基和苯并咪唑基取代的1-亚氨基异吲哚啉。讨论了这些反应的优化，并根据实验结果提出了反应机理。制备具有其他杂环取代基的异二氢吲哚，以证实所提出的机理。几种制备的化合物的分子和晶体结构是通过单晶X射线衍射确定的。发现这些结构与基于化学和光谱性质的预测一致，因此为提出的反应机理提供了额外的确认。 图形概要

  DOI：

  10.1007/s00706-016-1796-5

文献信息

• Benzothiazolyl- and benzimidazolyl-substituted 1-iminoisoindolines: synthesis, mechanistic studies, and crystal structure determination
  作者：Irena Sović、Iva Orehovec、Vladimir Stilinović、Nikola Basarić、Grace Karminski-Zamola

  DOI：10.1007/s00706-016-1796-5

  日期：2016.10

  experimental findings. Isoindolines with other heterocyclic substituents are prepared as a confirmation of the proposed mechanisms. Molecular and crystal structures of several prepared compounds are determined by a single crystal X-ray diffraction. These structures are found to be in line with projections based on the chemical and spectroscopic properties, and thus offer an additional confirmation of the

  摘要在邻苯二甲醛与取代的2-氨基苯并噻唑和2-氨基苯并咪唑的反应中，制备了新的苯并噻唑基和苯并咪唑基取代的1-亚氨基异吲哚啉。讨论了这些反应的优化，并根据实验结果提出了反应机理。制备具有其他杂环取代基的异二氢吲哚，以证实所提出的机理。几种制备的化合物的分子和晶体结构是通过单晶X射线衍射确定的。发现这些结构与基于化学和光谱性质的预测一致，因此为提出的反应机理提供了额外的确认。 图形概要
• SYNTHESES, SPECTRA, AND MAGNETIC PROPERTIES OF Fe(II) COMPLEXES WITH 7,7′,8,8′- TETRACYANOQUINODIMETHANE
  作者：Wen-Zhen Wang、Hong-Mei Wang、Dai-Zheng Liao、Zong-Hui Jiang、Shi-Ping Yan、Geng-Lin Wang

  DOI：10.1081/sim-100104790

  日期：2001.4.30

  Iron(II) complexes with TCNQ as ligand, Fe(bpy)(2)(ClO4) (TCNQ) . H2O (1), Fe(Mebpy)(2)(ClO4)(TCNQ) . 2H(2)O . C-2 H5OH (2), and Fe(btimb)(2)(ClO4)(TCNQ) . 3H(2)O (3) (where bpy = 2,2'-bipyridine, Mebpy = 4,4'-dimethyl-2,2'-bipyridine. btimb = o-bis[1-(1,2,4-triazolyl)iminomethyl]benzene, and TCNQ = 7,7',8,8'-tetracyano-quinodimethane) were prepared, and their spectroscopic and magnetic properties were studied. The metal ion is coordinated by two molecules of bidentate ligand L (L = bpy, Mebpy or btimb), one mono-dentately coordinated TCNQ(-) anion and one water molecule. The temperature dependence of the magnetic susceptibility of (1) shows antiferromagnetic interaction between high-spin Fe(II) and the TCNQ(-) radical with J = -100.4cm(-1) (where H = -2JS(1) . S-2).