(E)-5-(2-(4-hydroxyphenyl)-1-diazenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one | 1403492-74-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: (E)-5-(2-(4-hydroxyphenyl)-1-diazenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
• CAS: 1403492-74-9
• 化学式: C₁₀H₈N₄O₂S
• 分子量: 248.265
• InChiKey: RVRDOIGLOPIZJG-BUHFOSPRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.55
• 重原子数：
  17.0
• 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：
  93.6
• 氢给体数：
  3.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  dihydrogen hexachloroplatinate 、 (E)-5-(2-(4-hydroxyphenyl)-1-diazenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one 在 氨 作用下， 生成
  参考文献：
  名称：

  Elaborated studies for the ligitional behavior of thiouracil derivative towards Ni(II), Pd(II), Pt(IV), Cu(II) and ions

  摘要：

  A synthesis of new thiouracil derivative was carried out and deliberately investigated. A new series of complexes was prepared using Ni(II), Pd(II), Pt(IV), Cu(II) and UO2+2 ions. IR spectral data proposed the coordination mod of the ligand towards each metal ion and displays the binegative pentadentate mod as the maximum mod of coordination obtained with Ni(II) and Cu(II) complexes. (HNMR)-H-1 spectrum of UO2+2 complex in comparing with the free ligand spectrum supports the binegative appearance of the coordinated ligand through the ionization of C=O and C=S groups. The electronic spectral data as well as the magnetic moment measurements are coincide with each others to propose the square-planar geometry with Ni(II), Pd(II) and Cu(II) complexes and octahedral geometry with the others. ESR spectrum of Cu(II) complex displays axially symmetric g tensor parameters with g(11) > g(perpendicular to) > 2.0023 indicating that the d(x2-y2) orbital as a ground state with the square-planar geometry. The TG analysis for all isolated complexes were carried out to assert about the presence of water molecules physically or chemically attached with the central atom. The biological study was carried out against different microorganisms as gram negative, gram positive and fungi. The comparable data display the relative priority of Ni(II) complex in comparing with others against all organisms but, the other complexes display activity by the same with the free ligand. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2012.05.017
• 作为产物：
  描述：

  2-硫脲嘧啶 、 对氨基苯酚 在 盐酸 、 sodium nitrite 作用下， 以 水 为溶剂， 反应 1.0h， 生成 (E)-5-(2-(4-hydroxyphenyl)-1-diazenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
  参考文献：
  名称：

  Elaborated studies for the ligitional behavior of thiouracil derivative towards Ni(II), Pd(II), Pt(IV), Cu(II) and ions

  摘要：

  A synthesis of new thiouracil derivative was carried out and deliberately investigated. A new series of complexes was prepared using Ni(II), Pd(II), Pt(IV), Cu(II) and UO2+2 ions. IR spectral data proposed the coordination mod of the ligand towards each metal ion and displays the binegative pentadentate mod as the maximum mod of coordination obtained with Ni(II) and Cu(II) complexes. (HNMR)-H-1 spectrum of UO2+2 complex in comparing with the free ligand spectrum supports the binegative appearance of the coordinated ligand through the ionization of C=O and C=S groups. The electronic spectral data as well as the magnetic moment measurements are coincide with each others to propose the square-planar geometry with Ni(II), Pd(II) and Cu(II) complexes and octahedral geometry with the others. ESR spectrum of Cu(II) complex displays axially symmetric g tensor parameters with g(11) > g(perpendicular to) > 2.0023 indicating that the d(x2-y2) orbital as a ground state with the square-planar geometry. The TG analysis for all isolated complexes were carried out to assert about the presence of water molecules physically or chemically attached with the central atom. The biological study was carried out against different microorganisms as gram negative, gram positive and fungi. The comparable data display the relative priority of Ni(II) complex in comparing with others against all organisms but, the other complexes display activity by the same with the free ligand. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2012.05.017