6-formyl-5,7-dimethoxy-2-methylchromone thiosemicarbazone | 674287-73-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 6-formyl-5,7-dimethoxy-2-methylchromone thiosemicarbazone
• CAS: 674287-73-1
• 化学式: C₁₄H₁₅N₃O₄S
• 分子量: 321.357
• InChiKey: GENOPSLZOFUUEF-UHFFFAOYSA-N

物化性质

• 熔点：
  215 °C (decomp)
• 沸点：
  543.4±60.0 °C(Predicted)
• 密度：
  1.39±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.29
• 重原子数：
  22.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  99.08
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  cobalt(II) chloride hexahydrate 、 6-formyl-5,7-dimethoxy-2-methylchromone thiosemicarbazone 、 水 以 乙醇 、 水 为溶剂， 生成 (6-formyl-5,7-dimethoxy-2-methylchromone thiosemicarbazono)chlorotriaquacobalt(II) tetrahydrate
  参考文献：
  名称：

  Synthesis and Coordinating Properties of New Chromone Thiosemicarbazones Towards Some Transition Metal Ions

  摘要：

  Copper(II), iron(III), cobalt(II,III), nickel(II). chromium(III), palladium(II), platinum(IV) and zinc(II) complexes of 2-methyl-7-hydroxy-5-methoxy-6-formyl chromone thiosemicarbazone (H2L1), 2-methyl-5,7-dimethoxy-6-formyl chromone thiosemicarbazone (HL2) have been prepared and characterized by conductance, magnetic, electronic, infrared and H-1 NMR spectroscopic measurements as well as elemental and thermogravimetrical analyses. Octahedral structures are proposed for the Pt(IV), Fe(III), Co(II), Co(III), and Cr(III) complexes, whereas square-planar configurations are suggested for the Pd(II)and Cu(II) complexes. Moreover, spectral studies indicate that the H2L1-Ni complex is square-planar and the H2L1-Zn(II) complex is tetrahedral.

  DOI：

  10.1081/sim-120025446