[Hg(pyrazolo[3,4-d]pyrimidin-6-one(1-))(Cl)(H2O)] | 1082755-46-1

• 英文名称: [Hg(pyrazolo[3,4-d]pyrimidin-6-one(1-))(Cl)(H2O)]
• 英文别名: [Hg(allopurinol(1-))(Cl)(H2O)]
• CAS: 1082755-46-1
• 化学式: C₅H₅ClHgN₄O₂
• 分子量: 389.163
• InChiKey: MGJMPSAHTCULSF-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  别嘌醇 、 mercury dichloride 在 NaOH 作用下， 以 水 为溶剂， 生成 [Hg(pyrazolo[3,4-d]pyrimidin-6-one(1-))(Cl)(H2O)]
  参考文献：
  名称：

  Metal complexes of antiuralethic drug: Synthesis, spectroscopic characterization and thermal study on allopurinol complexes

  摘要：

  Mn(II), Co(II), Ni(II), Cu(II), Zn(ll), Cd(II) and Hg(II) complexes of the allopurinol ligand, (H2L; Alp=(C5H4N4O)), were synthesized and characterized by microanalyses, magnetic susceptibility, conductance, infrared, electronic spectral and thermogravimetric (TGA/DTG) measurements. The ligand can be coordinated as a bidentate feature via pyrazole and/or pyrimidine rings. Spectroscopic and magnetic data are consistent with configuration of square planar geometry for the Mn(II), Co(II), Zn(II), Cd(II) and Hg(II) complexes while the Ni(II) and Cu(II) complexes are octahedral. From the thermal degradation curves, the uncoordinated water molecules are removed in a first stage while the decomposition of ligand beside coordinated water molecules occur in the second and subsequence steps. The kinetic thermodynamic parameters such as: E* Delta H*, Delta S* and Delta G* are estimated from the DTG curves using Coats and Red-fern (CR) and Horowitz-Metzger equations. (C) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2008.01.009