tetraaquothenoyltrifluoroacetoneindium(III) sulphate | 444057-15-2

• 英文名称: tetraaquothenoyltrifluoroacetoneindium(III) sulphate
• CAS: 444057-15-2
• 化学式: C₈H₁₂F₃InO₆S*O₄S
• 分子量: 504.124
• InChiKey: JFPGRWYWYHPTHY-UHFFFAOYSA-L

计算性质

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

反应信息

• 作为反应物：
  描述：

  tetraaquothenoyltrifluoroacetoneindium(III) sulphate 、 3-巯基-1,2,4-三氮唑 以 乙醇 、 水 为溶剂， 以50%的产率得到bis(1H-1,2,4-triazole-3-thiol)thenoyltrifluoroacetone indium(III)
  参考文献：
  名称：

  PREPARATION AND CHARACTERIZATION OF NEW In(III), Re(III), AND Re(V) COMPLEXES WITH THENOYLTRIFLUOROACETONE AND SOME BIDENTATE HETEROCYCLIC LIGANDS

  摘要：

  New In(III), Re(III) and Re(V) complexes with the thenoyltrifluoroacetone ligand (HTTA) of the general formulae [In(TTA)(H2O)(4)]SO4, [Re(TTA)(n)(H2O)(x)]Cl3-n and [ReO(TTA)(n)(H2O)(x)]Cl3-n (where n and x refer to the number of [TTA](-) moieties and H2O molecules, respectively) have been prepared and characterized by spectroscopy, thermogravimetry, elemental analyses and X-ray diffraction. The charge densities on the ligand atoms were calculated via CNDO-SCF calculations. The newly prepared complexes [In(TTA)(H2O)(4)]SO2 and [ReO(TTA)(H2O)(2)]CL2 were employed as precursors for the synthesis of the mixed-ligand complexes [In(TTA)(HOCTA)(2)], [In(TTA)(TZT)(2)] and [ReO(TTA)(HOTCA)]Cl using R(-)-2-oxothiazolidine 4-carboxylicacid (H(2)OTCA) and 1H-1,2,4-triazole-3-thiol (H(2)TZT) as ligands. The synthesized mixed-ligand complexes were characterized by the conventional physical and chemical methods of analysis applied earlier for the characterization of the precursors. The investigated complexes are soluble in water, ethanol and acetonitrile, insoluble in non-polar solvents and could be of potential use for clinical studies. The antibacterial activity of the investigated complexes has been tested and evaluated.

  DOI：

  10.1081/sim-120003791
• 作为产物：
  描述：

  indium sulfate 、 2-噻吩甲酰三氟丙酮 、 水 以 乙醇 、 水 为溶剂， 以49%的产率得到tetraaquothenoyltrifluoroacetoneindium(III) sulphate
  参考文献：
  名称：

  PREPARATION AND CHARACTERIZATION OF NEW In(III), Re(III), AND Re(V) COMPLEXES WITH THENOYLTRIFLUOROACETONE AND SOME BIDENTATE HETEROCYCLIC LIGANDS

  摘要：

  New In(III), Re(III) and Re(V) complexes with the thenoyltrifluoroacetone ligand (HTTA) of the general formulae [In(TTA)(H2O)(4)]SO4, [Re(TTA)(n)(H2O)(x)]Cl3-n and [ReO(TTA)(n)(H2O)(x)]Cl3-n (where n and x refer to the number of [TTA](-) moieties and H2O molecules, respectively) have been prepared and characterized by spectroscopy, thermogravimetry, elemental analyses and X-ray diffraction. The charge densities on the ligand atoms were calculated via CNDO-SCF calculations. The newly prepared complexes [In(TTA)(H2O)(4)]SO2 and [ReO(TTA)(H2O)(2)]CL2 were employed as precursors for the synthesis of the mixed-ligand complexes [In(TTA)(HOCTA)(2)], [In(TTA)(TZT)(2)] and [ReO(TTA)(HOTCA)]Cl using R(-)-2-oxothiazolidine 4-carboxylicacid (H(2)OTCA) and 1H-1,2,4-triazole-3-thiol (H(2)TZT) as ligands. The synthesized mixed-ligand complexes were characterized by the conventional physical and chemical methods of analysis applied earlier for the characterization of the precursors. The investigated complexes are soluble in water, ethanol and acetonitrile, insoluble in non-polar solvents and could be of potential use for clinical studies. The antibacterial activity of the investigated complexes has been tested and evaluated.

  DOI：

  10.1081/sim-120003791