(6'R-6-(3-2chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxamido)pencillanic acid | 24223-74-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (6'R-6-(3-2chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxamido)pencillanic acid
• 英文别名: 6β-[3-(2-chloro-6-fluoro-phenyl)-5-methyl-isoxazole-4-carbonylamino]-penicillanic acid；fluclaxocillin；[3-(2-chloro-6-fluoro-phenyl)-5-methyl-isoxazol-4-yl]-penicillin；flucloxacillin；floxacillin；6-(((3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl)carbonyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid；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-carboxylic acid
• CAS: 24223-74-3
• 化学式: C₁₉H₁₇ClFN₃O₅S
• 分子量: 453.878
• InChiKey: UIOFUWFRIANQPC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  138
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  (6'R-6-(3-2chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxamido)pencillanic acid 、 水 、 三氯化铁 以 乙醇 、 水 为溶剂， 以78%的产率得到
  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

文献信息

• [EN] IMPROVED PROCESS FOR PREPARING PENICILLINS AND INTERMEDIATE COMPOUNDS<br/>[FR] PROCÉDÉ AMÉLIORÉ DE PRÉPARATION DE PÉNICILLINES ET AUTRES COMPOSÉS INTERMÉDIAIRES
  申请人：VARDHMAN CHEMTECH LTD

  公开号：WO2012164355A1

  公开（公告）日：2012-12-06

  Disclosed is an improved process for the preparation of isoxazolyl penicillins of formula (I), wherein X1 and X2 can be independently selected from the group comprising hydrogen, chlorine or fluorine, and its pharmaceutically suitable salts. The process is economic in -situ synthetic method without isolation of any intermediate. (I).

  公开了一种改进的制备式(I)异噁唑基青霉素的方法，其中X1和X2可以独立地选择自氢、氯或氟的群体，以及其药用盐。该方法是一种经济的原位合成方法，无需分离任何中间体。(I)。
• COMPOSITIONS AND MEANS FOR DIAGNOSING MICROBIAL INFECTIONS
  申请人：Statens Serum Institut

  公开号：EP2181330B1

  公开（公告）日：2013-11-20
• NEW BINARY AND TERNARY COMPLEXES OF FLUCLAXOCILLIN AND AMINO ACIDS WITH SOME TRANSITION METALS. SYNTHESIS, CHARACTERIZATION, AND CYCLIC VOLTAMMETRIC STUDIES
  作者：M. A. Abd El-Rahim、Gehad G. Mohamed、Wafaa M. Hosny

  DOI：10.1081/sim-120014865

  日期：2002.9.26

  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.