(Zn(methyl acetoacetate thiosemicarbazonate)2) | 412295-29-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (Zn(methyl acetoacetate thiosemicarbazonate)2)
• CAS: 412295-29-5
• 化学式: C₁₂H₂₀N₆O₄S₂Zn
• 分子量: 441.851
• InChiKey: CZVZYMAZLNYDLG-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：

  (Zn(methyl acetoacetate thiosemicarbazonate)2) 、 二甲基亚砜 以 二甲基亚砜 为溶剂， 生成
  参考文献：
  名称：

  Metal-Induced Cyclization of Thiosemicarbazones Derived from β-Keto Amides and β-Keto Esters:  Open-Chain and Cyclized Ligands in Zinc(II) Complexes

  摘要：

  The reactions of Zn(OAc)(2) with acetoacetanilide, methyl acetoacetate, o-acetoacetanisidide, and ethyl 2-methylacetoacetate thiosemicarbazones (HTSC1, HTSC2, HTSC3, and HTSC4, respectively) were explored in methanol. With HTSC1, HTSC2, and HTSC3, following isolation of the corresponding zinc(II) thiosemicarbazonates [Zn(TSCx)(2)] (x = 1, 2, 3), the mother liquors afforded pyrazolonate complexes [ZnL21(H2O)] (HL1 = 2,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1-carbothioamide) that had been formed by cyclization of the corresponding TSC-. The reaction of HTSC4 with zinc(II) acetate gave only the pyrazolonate complex [ZnL22(H2O)] (HL2 = 2,5-dihydro-3,4-dimethyl5-oxo-1H-pyrazole-1-carbothioamide). All compounds were studied by IR and NMR spectroscopy, and HTSC3, [Zn(TSC3)(2)]-DMSO, [ZnL21(H2O)](.)2DMSO, and [ZnL22(H2O)](.)2DMSO were also studied by X-ray diffractometry, giving a thorough picture of the cyclization process. In preliminary tests of the effects of HL1 and [ZnL21(H2O)] on rat paw inflammatory edema induced by carrageenan, HL1 showed antiinflammatory activity.

  DOI：

  10.1021/ic0111942
• 作为产物：
  描述：

  methyl acetoacetate thiosemicarbazone 、 zinc(II) acetate dihydrate 以 甲醇 为溶剂， 以73%的产率得到(Zn(methyl acetoacetate thiosemicarbazonate)2)
  参考文献：
  名称：

  Metal-Induced Cyclization of Thiosemicarbazones Derived from β-Keto Amides and β-Keto Esters:  Open-Chain and Cyclized Ligands in Zinc(II) Complexes

  摘要：

  The reactions of Zn(OAc)(2) with acetoacetanilide, methyl acetoacetate, o-acetoacetanisidide, and ethyl 2-methylacetoacetate thiosemicarbazones (HTSC1, HTSC2, HTSC3, and HTSC4, respectively) were explored in methanol. With HTSC1, HTSC2, and HTSC3, following isolation of the corresponding zinc(II) thiosemicarbazonates [Zn(TSCx)(2)] (x = 1, 2, 3), the mother liquors afforded pyrazolonate complexes [ZnL21(H2O)] (HL1 = 2,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1-carbothioamide) that had been formed by cyclization of the corresponding TSC-. The reaction of HTSC4 with zinc(II) acetate gave only the pyrazolonate complex [ZnL22(H2O)] (HL2 = 2,5-dihydro-3,4-dimethyl5-oxo-1H-pyrazole-1-carbothioamide). All compounds were studied by IR and NMR spectroscopy, and HTSC3, [Zn(TSC3)(2)]-DMSO, [ZnL21(H2O)](.)2DMSO, and [ZnL22(H2O)](.)2DMSO were also studied by X-ray diffractometry, giving a thorough picture of the cyclization process. In preliminary tests of the effects of HL1 and [ZnL21(H2O)] on rat paw inflammatory edema induced by carrageenan, HL1 showed antiinflammatory activity.

  DOI：

  10.1021/ic0111942