2-(p-tolyl)-5-(p-tolylthio)oxazole-4-carbonyl chloride | 1253291-88-1

• 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-(p-tolyl)-5-(p-tolylthio)oxazole-4-carbonyl chloride
• CAS: 1253291-88-1
• 化学式: C₁₈H₁₄ClNO₂S
• 分子量: 343.834
• InChiKey: FAZLWPVANZLJCN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.49
• 重原子数：
  23.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  43.1
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-(p-tolyl)-5-(p-tolylthio)oxazole-4-carbonyl chloride 、 methyl 5-hydrazino-2-phenyl-1,3-oxazole-4-carboxylate 在 N,N-二甲基苯胺 作用下， 以 乙腈 为溶剂， 以85%的产率得到Methyl 5-[2-[2-(4-methylphenyl)-5-(4-methylphenyl)sulfanyl-1,3-oxazole-4-carbonyl]hydrazinyl]-2-phenyl-1,3-oxazole-4-carboxylate
  参考文献：
  名称：

  2-aryl-5-arylsulfanyl-1,3-oxazole-4-carboxylic acids and their derivatives

  摘要：

  A convenient preparative procedure has been developed for the synthesis of previously unknown 2-aryl- 5-arylsulfanyl-1,3-oxazole-4-carboxylic acids and their functional derivatives from accessible multicenter substrates of the general formula Cl(2)C=C(NHCOR)C(O)OMe. The products turned out to be suitable for various subsequent transformations. Some oxazole-4-carboxylic acid hydrazide derivatives containing a substituted oxazol-5-yl fragment at the N(2) atom in the hydrazine moiety underwent recyclization on heating in acetic acid; as a result, one oxazole ring was converted into 1,3,4-oxadiazole.

  DOI：

  10.1134/s1070363210070212
• 作为产物：
  描述：

  4-甲苯硫酚 在 氯化亚砜 、 水 、 sodium hydroxide 作用下， 以 乙醇 、 苯 为溶剂， 反应 1.0h， 生成 2-(p-tolyl)-5-(p-tolylthio)oxazole-4-carbonyl chloride
  参考文献：
  名称：

  2-aryl-5-arylsulfanyl-1,3-oxazole-4-carboxylic acids and their derivatives

  摘要：

  A convenient preparative procedure has been developed for the synthesis of previously unknown 2-aryl- 5-arylsulfanyl-1,3-oxazole-4-carboxylic acids and their functional derivatives from accessible multicenter substrates of the general formula Cl(2)C=C(NHCOR)C(O)OMe. The products turned out to be suitable for various subsequent transformations. Some oxazole-4-carboxylic acid hydrazide derivatives containing a substituted oxazol-5-yl fragment at the N(2) atom in the hydrazine moiety underwent recyclization on heating in acetic acid; as a result, one oxazole ring was converted into 1,3,4-oxadiazole.

  DOI：

  10.1134/s1070363210070212