5-(Carboxymethylmercapto)-1-methyl-4-nitroimidazole | 6339-60-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-(Carboxymethylmercapto)-1-methyl-4-nitroimidazole
• 英文别名: (3-methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-acetic acid；1-Methyl-4-nitro-1H-imidazol-5-ylthio-essigsaeure；4-Nitro-1-methyl-5-carboxymethylmercapto-imidazol；4-Nitro-5-carboxymethylmercapto-1-methyl-imidazol；[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]acetic acid；2-(3-methyl-5-nitroimidazol-4-yl)sulfanylacetic acid
• CAS: 6339-60-2
• 化学式: C₆H₇N₃O₄S
• mdl: MFCD00605688
• 分子量: 217.205
• InChiKey: TUQQNQSADKYHNI-UHFFFAOYSA-N

物化性质

• 熔点：
  202-203 °C
• 沸点：
  508.7±45.0 °C(Predicted)
• 密度：
  1.67±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  126
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  甲醇 、 5-(Carboxymethylmercapto)-1-methyl-4-nitroimidazole 在 三氟化硼乙醚 作用下， 反应 18.0h， 以45%的产率得到5-(Carbomethoxymethylmercapto)-1-methyl-4-nitroimidazole
  参考文献：
  名称：

  Mukherjee; Kumar; Seth, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1989, vol. 28, # 5, p. 391 - 396

  摘要：

  DOI：
• 作为产物：
  描述：

  5-氯-1-甲基-4-硝基咪唑 、 巯基乙酸 在 potassium carbonate 作用下， 反应 9.0h， 以65%的产率得到5-(Carboxymethylmercapto)-1-methyl-4-nitroimidazole
  参考文献：
  名称：

  Mukherjee; Kumar; Seth, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1989, vol. 28, # 5, p. 391 - 396

  摘要：

  DOI：

文献信息

• New cephalosporins and 7.ALPHA.-methoxy cephalosporins chemistry and biological activities.
  作者：GUGLIELMO ELITROPI、EZIO PANTÒ、SILVIA TRICERRI、LINO CHIARANI、ROBERTO PEZZALI、MARIO RIVA、GIOVANNA ZANUSO

  DOI：10.7164/antibiotics.32.900

  日期：——

  The synthesis and the in vitro activity of a number of cephalosporins and 7α-methoxy cephalosporins having 7-acyl substituents derived from 1-methyl-4 (or 5)-nitro-1H-imidazolyl-thioacetic acids are described. The microbiological profile is influenced by the position of both the nitro group and the side-chain sulfur atom on the 1-methyl imidazole, and by the nature of the 3-substituent.

  描述了多种头孢菌素和7α-甲氧基头孢菌素的合成及其体外活性，这些化合物具有来源于1-甲基-4（或5）-硝基-1H-咪唑基-硫乙酸的7-酰基取代基。微生物学特征受到硝基团和侧链硫原子在1-甲基咪唑上的位置以及3-取代基的性质的影响。
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