2-(4,5-diphenyl-4H-[1,2,4]triazol-3-yl)-pyridine | 63218-82-6

• 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-(4,5-diphenyl-4H-[1,2,4]triazol-3-yl)-pyridine
• 英文别名: 2-(4,5-Diphenyl-1,2,4-triazol-3-yl)pyridine
• CAS: 63218-82-6
• 化学式: C₁₉H₁₄N₄
• 分子量: 298.347
• InChiKey: PZASBPJVXCIWEG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  43.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  甲醇 、 2-(4,5-diphenyl-4H-[1,2,4]triazol-3-yl)-pyridine 、 Fe(py)4(NCS)2 以 氯仿 为溶剂， 反应 1.0h， 以25%的产率得到
  参考文献：
  名称：

  Synthesis and characterisation of two high spin iron(II) complexes of 3,4-diphenyl-5-(2-pyridyl)-1,2,4-triazole

  摘要：

  The stepwise synthesis of the new ligand 4,5-diphenyl-3-pyridyl-1,2,4-triazole (phppt) from N-phenyl-pyridine-2-thiocarboxamide and benzohydrazide is reported. Two iron(II) complexes, [Fe(phppt)(2)(SCN)2]center dot 2MeOH and [Fe(phppt)(2) (SeCN)(2)]center dot Et2O, have been prepared and structurally characterised at 90 K, showing that both complexes are high spin (HS). The Mossbauer spectrum of [Fe(phppt) 2(SeCN) 2]center dot 1.5MeOH is consistent with the iron(II) ion being HS at 5.2 K.

  DOI：

  10.1080/10610278.2012.691608
• 作为产物：
  描述：

  碳酸甲丙酯 在 sodium sulfide nonahydrate 、 sodium acetate 、 sulfur 作用下， 以 乙醇 、 正丁醇 为溶剂， 反应 42.0h， 生成 2-(4,5-diphenyl-4H-[1,2,4]triazol-3-yl)-pyridine
  参考文献：
  名称：

  Synthesis and characterisation of two high spin iron(II) complexes of 3,4-diphenyl-5-(2-pyridyl)-1,2,4-triazole

  摘要：

  The stepwise synthesis of the new ligand 4,5-diphenyl-3-pyridyl-1,2,4-triazole (phppt) from N-phenyl-pyridine-2-thiocarboxamide and benzohydrazide is reported. Two iron(II) complexes, [Fe(phppt)(2)(SCN)2]center dot 2MeOH and [Fe(phppt)(2) (SeCN)(2)]center dot Et2O, have been prepared and structurally characterised at 90 K, showing that both complexes are high spin (HS). The Mossbauer spectrum of [Fe(phppt) 2(SeCN) 2]center dot 1.5MeOH is consistent with the iron(II) ion being HS at 5.2 K.

  DOI：

  10.1080/10610278.2012.691608

文献信息

• Santus, Maria, Liebigs Annalen der Chemie, 1988, p. 179 - 182
  作者：Santus, Maria

  DOI：——

  日期：——
• SANTUS, MARIA, LIEBIGS ANN. CHEM.,(1988) N 2, 179-182
  作者：SANTUS, MARIA

  DOI：——

  日期：——
• Synthesis and characterisation of two high spin iron(II) complexes of 3,4-diphenyl-5-(2-pyridyl)-1,2,4-triazole
  作者：Reece G. Miller、Guy N.L. Jameson、Juan Olguín、Sally Brooker

  DOI：10.1080/10610278.2012.691608

  日期：2012.8.1

  The stepwise synthesis of the new ligand 4,5-diphenyl-3-pyridyl-1,2,4-triazole (phppt) from N-phenyl-pyridine-2-thiocarboxamide and benzohydrazide is reported. Two iron(II) complexes, [Fe(phppt)(2)(SCN)2]center dot 2MeOH and [Fe(phppt)(2) (SeCN)(2)]center dot Et2O, have been prepared and structurally characterised at 90 K, showing that both complexes are high spin (HS). The Mossbauer spectrum of [Fe(phppt) 2(SeCN) 2]center dot 1.5MeOH is consistent with the iron(II) ion being HS at 5.2 K.