2-methyl-4-oxo-4,5-dihydro-thiazole-5-carboxylic acid ethyl ester; sodium enolate | 92502-98-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-methyl-4-oxo-4,5-dihydro-thiazole-5-carboxylic acid ethyl ester; sodium enolate
• 英文别名: sodium salt of 2-methyl-5-ethoxycarbonyl-4-hydroxy-thiazole；Sodium 5-(ethoxycarbonyl)-2-methylthiazol-4-olate；sodium;5-ethoxycarbonyl-2-methyl-1,3-thiazol-4-olate
• CAS: 92502-98-2
• 化学式: C₇H₈NO₃S*Na
• 分子量: 209.201
• InChiKey: UTAKAANTXPFJQJ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.29
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  90.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-methyl-4-oxo-4,5-dihydro-thiazole-5-carboxylic acid ethyl ester; sodium enolate 、 1-氯甲基-3-三氟甲基苯 以 N-甲基吡咯烷酮 为溶剂， 生成 2-methyl-5-ethoxy-carbonyl-4-(3-trifluoromethylbenzyloxy)-thiazole
  参考文献：
  名称：

  Herbicidal thiazolecarboxamide derivatives

  摘要：

  Herbicidal thiazolecarboxamide derivatives of the formula ##STR1## in which n represents the numbers 0 or 1, A represents in each case optionally substituted alkyl, aryl, heteroaryl, arylamino or heteroarylamino, R.sup.1 represents hydrogen, halogen or alkyl, R.sup.2 represents hydrogen, halogen or alkyl, R.sup.3 represents hydrogen, halogen, alkyl or halogenoalkyl, R.sup.4 represents hydrogen, halogen, alkyl or halogenoalkyl, R.sup.5 represents hydrogen, halogen, alkyl, nitro or amino, R.sup.6 represents hydrogen, halogen, alkyl halogenoalkyl, alkoxy, halogenoalkoxy, alkylthio, halogenoalkylthio or alkoxycarbonyl, and R.sup.7 represents hydrogen, halogen, alkyl, nitro or amino.

  公开号：

  US05057142A1
• 作为产物：
  描述：

  4-羟基-2-甲基噻唑-5-甲酸甲酯 在 sodium 作用下， 以 乙醇 为溶剂， 生成 sodium ethanolate 、 2-methyl-4-oxo-4,5-dihydro-thiazole-5-carboxylic acid ethyl ester; sodium enolate
  参考文献：
  名称：

  Herbicidal thiazolecarboxamide derivatives

  摘要：

  Herbicidal thiazolecarboxamide derivatives of the formula ##STR1## in which n represents the numbers 0 or 1, A represents in each case optionally substituted alkyl, aryl, heteroaryl, arylamino or heteroarylamino, R.sup.1 represents hydrogen, halogen or alkyl, R.sup.2 represents hydrogen, halogen or alkyl, R.sup.3 represents hydrogen, halogen, alkyl or halogenoalkyl, R.sup.4 represents hydrogen, halogen, alkyl or halogenoalkyl, R.sup.5 represents hydrogen, halogen, alkyl, nitro or amino, R.sup.6 represents hydrogen, halogen, alkyl halogenoalkyl, alkoxy, halogenoalkoxy, alkylthio, halogenoalkylthio or alkoxycarbonyl, and R.sup.7 represents hydrogen, halogen, alkyl, nitro or amino.

  公开号：

  US05057142A1

文献信息

• Duro,F., Gazzetta Chimica Italiana, 1963, vol. 93, p. 215 - 220
  作者：Duro,F.

  DOI：——

  日期：——