N-(4-chlorophenyl)-5-[(4-chlorophenyl)sulfanyl]-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide | 1179491-30-5

• 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: N-(4-chlorophenyl)-5-[(4-chlorophenyl)sulfanyl]-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide
• 英文别名: N-(4-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide
• CAS: 1179491-30-5
• 化学式: C₂₃H₁₆Cl₂N₂O₂S
• 分子量: 455.364
• InChiKey: OQVWQDMEEJGSQT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  80.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3,3-Dichloro-2-(4-methyl-benzoylamino)-acrylic acid methyl ester 在 氯化亚砜 、 水 、 三乙胺 、 sodium hydroxide 作用下， 以 乙醇 、 乙腈 、 苯 为溶剂， 反应 1.0h， 生成 N-(4-chlorophenyl)-5-[(4-chlorophenyl)sulfanyl]-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide
  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

文献信息

• 2-aryl-5-arylsulfanyl-1,3-oxazole-4-carboxylic acids and their derivatives
  作者：S. G. Pil’o、V. M. Prokopenko、V. S. Brovarets、B. S. Drach

  DOI：10.1134/s1070363210070212

  日期：2010.7

  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.