(E)-4-((1,3,4-thiadiazol-2-yl)diazenyl)benzene-1,3-diol | 1428773-88-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: (E)-4-((1,3,4-thiadiazol-2-yl)diazenyl)benzene-1,3-diol
• CAS: 1428773-88-9
• 化学式: C₈H₆N₄O₂S
• 分子量: 222.227
• InChiKey: OJLGJWLOAZPPQV-ZRDIBKRKSA-N

物化性质

• 沸点：
  445.0±38.0 °C(Predicted)
• 密度：
  1.67±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.36
• 重原子数：
  15.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  90.96
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  (E)-4-((1,3,4-thiadiazol-2-yl)diazenyl)benzene-1,3-diol 、 水 、 copper diacetate 以 乙醇 为溶剂， 生成 [Cu((E)-4-((1,3,4-thiadiazol-2-yl)diazenyl)benzene-1,3-diol)(2H2O)]*acetate*H2O
  参考文献：
  名称：

  Complex formation, thermal behavior and stability competition between Cu(II) ion and Cu0 nanoparticles with some new azo dyes. Antioxidant and in vitro cytotoxic activity

  摘要：

  Four triazole and thiadiazole-based azo chromophores namely [(E)-4-((1H-1,2,4-triazol-3-yl)diazenyl)benzene-1,3-diol.(HL1), (E)-4-((5-(methylthio)-1H-1,2,4-triazol-3-yl)diazenyl)benzene-1,3-diol.(HL2), (E)-4((1,3,4-thiadiazol-2-yl)diazenyl)benzene-1,3-diol.(HL3) and (E)-4-( (5-mercapto-1,3,4-thiadiazol-2-yl)diazenyl)benzene-1,3-diol.(HL4)] were synthesized and characterized by elemental analyses, IR, UV-Vis as well as mass spectroscopy. Cu(II) complexes of the investigated azo dyes have been synthesized and characterized by elemental analyses, IR, electronic and ESR spectra, magnetic susceptibility and thermogravimetric analyses. The bond lengths and bond angles have been calculated to confirm the geometry of the ligands and their Cu(II) complexes. The mode of interaction of the azodyes to copper nanoparticles was described as coordination mode of charged dye molecules on the colloidal Cu-0 surface through anchoring -OH- group. The apparent association constants of the colloidal copper nanoparticles azodye complexes in solution were evaluated using the spectral method and compared with the formation constant of the Cu(II) azo complexes. The antitumor and antioxidant activities of the synthesized azo dyes and their Cu(II) azo complexes have been evaluated. (c) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2013.01.039
• 作为产物：
  描述：

  间苯二酚 、 alkaline earth salt of/the/ methylsulfuric acid 生成 (E)-4-((1,3,4-thiadiazol-2-yl)diazenyl)benzene-1,3-diol
  参考文献：
  名称：

  Complex formation, thermal behavior and stability competition between Cu(II) ion and Cu0 nanoparticles with some new azo dyes. Antioxidant and in vitro cytotoxic activity

  摘要：

  Four triazole and thiadiazole-based azo chromophores namely [(E)-4-((1H-1,2,4-triazol-3-yl)diazenyl)benzene-1,3-diol.(HL1), (E)-4-((5-(methylthio)-1H-1,2,4-triazol-3-yl)diazenyl)benzene-1,3-diol.(HL2), (E)-4((1,3,4-thiadiazol-2-yl)diazenyl)benzene-1,3-diol.(HL3) and (E)-4-( (5-mercapto-1,3,4-thiadiazol-2-yl)diazenyl)benzene-1,3-diol.(HL4)] were synthesized and characterized by elemental analyses, IR, UV-Vis as well as mass spectroscopy. Cu(II) complexes of the investigated azo dyes have been synthesized and characterized by elemental analyses, IR, electronic and ESR spectra, magnetic susceptibility and thermogravimetric analyses. The bond lengths and bond angles have been calculated to confirm the geometry of the ligands and their Cu(II) complexes. The mode of interaction of the azodyes to copper nanoparticles was described as coordination mode of charged dye molecules on the colloidal Cu-0 surface through anchoring -OH- group. The apparent association constants of the colloidal copper nanoparticles azodye complexes in solution were evaluated using the spectral method and compared with the formation constant of the Cu(II) azo complexes. The antitumor and antioxidant activities of the synthesized azo dyes and their Cu(II) azo complexes have been evaluated. (c) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2013.01.039