2-aminopropanoate;6-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;nickel(2+);dihydrate | 482586-02-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-aminopropanoate;6-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;nickel(2+);dihydrate
• CAS: 482586-02-7
• 化学式: C₂₂H₂₆ClFN₄NiO₉S
• 分子量: 635.677
• InChiKey: TWJREPTZYHHBIQ-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

• 作为产物：
  描述：

  (6'R-6-(3-2chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxamido)pencillanic acid 、 水 、 DL-丙氨酸 、 nickel dichloride 以 乙醇 、 水 为溶剂， 以82%的产率得到2-aminopropanoate;6-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;nickel(2+);dihydrate
  参考文献：
  名称：

  NEW BINARY AND TERNARY COMPLEXES OF FLUCLAXOCILLIN AND AMINO ACIDS WITH SOME TRANSITION METALS. SYNTHESIS, CHARACTERIZATION, AND CYCLIC VOLTAMMETRIC STUDIES

  摘要：

  The new binary and ternary complexes of fluclaxocillin (HFluc) and amino acids (HAA) [glycine (HGly) and alanine (HAla)] with Fe(II), Fe(III), Co(II), Ni(II) and Cu(II) ions were prepared and characterized using various spectroscopic methods. According to the elemental analyses, the binary complexes were found to have the general formulas [M(Fluc)(X)(H2O)(x)].yH(2)O and [Fe(Fluc)(Cl)(2)(H2O)(2)].4H(2)O while the ternary complexes had the formulas [M(Fluc)(AA)(Cl)(H2O)(x)].yH(2)O and [Fe(Fluc)(AA)(Cl)(H2O)(x)].yH(2)O where M = Fe(II), Co(II), Ni(II) and Cu(II), X = OAc in the case of Cu(II) and Cl in the case of Fe(II), Co(II) and Ni(II), AA = Gly(-) and Ala(-), x = 2-6 and y = 1-3. IR, magnetic and solid reflectance spectral studies were utilized to infer the structure of the complexes. Thermogravimetric analysis (TGA) was utilized to differentiate between coordinated and hydrated water molecules. The Fluc(-), Gly(-) and Ala molecules are decomposed in a second and subsequent steps. Cyclic voltametric investigations of these complexes were also carried out.

  DOI：

  10.1081/sim-120014865