N-(3-(2-bromo-4-methylphenylamino)-1,1-bis(methylthio)-3-oxoprop-1-en-2-yl)benzamide | 1236209-15-6

• 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-(3-(2-bromo-4-methylphenylamino)-1,1-bis(methylthio)-3-oxoprop-1-en-2-yl)benzamide
• 英文别名: N-[3-(2-bromo-4-methylanilino)-1,1-bis(methylsulfanyl)-3-oxoprop-1-en-2-yl]benzamide
• CAS: 1236209-15-6
• 化学式: C₁₉H₁₉BrN₂O₂S₂
• 分子量: 451.408
• InChiKey: TVAQOOAMYPLMLT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-(3-(2-bromo-4-methylphenylamino)-1,1-bis(methylthio)-3-oxoprop-1-en-2-yl)benzamide 在 silver carbonate 作用下， 以 乙腈 为溶剂， 以92%的产率得到N-(2-bromo-4-methylphenyl)-5-(methylthio)-2-phenyloxazole-4-carboxamide
  参考文献：
  名称：

  4-Bis(methylthio)methylene-2-phenyloxazol-5-one: Versatile Template for Synthesis of 2-Phenyl-4,5-functionalized Oxazoles

  摘要：

  4-Bis(methylthio)methylene-2-phenyloxazol-5-one has been shown to be a versatile template for the synthesis of various 2-phenyl-3,4-substituted oxazoles via nucleophilic ring-opening of oxazolone with various oxygen, nitrogen, and carbon nucleophiles and subsequent 5-endo cyclization of the resulting acyclic adducts in the presence of silver carbonate.

  DOI：

  10.1021/jo100941f
• 作为产物：
  描述：

  4-(Bis-methylmercaptomethylen)-2-phenyl-2-oxazolin-5-on 、 2-溴-4-甲基苯胺 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 以72%的产率得到N-(3-(2-bromo-4-methylphenylamino)-1,1-bis(methylthio)-3-oxoprop-1-en-2-yl)benzamide
  参考文献：
  名称：

  4-Bis(methylthio)methylene-2-phenyloxazol-5-one: Versatile Template for Synthesis of 2-Phenyl-4,5-functionalized Oxazoles

  摘要：

  4-Bis(methylthio)methylene-2-phenyloxazol-5-one has been shown to be a versatile template for the synthesis of various 2-phenyl-3,4-substituted oxazoles via nucleophilic ring-opening of oxazolone with various oxygen, nitrogen, and carbon nucleophiles and subsequent 5-endo cyclization of the resulting acyclic adducts in the presence of silver carbonate.

  DOI：

  10.1021/jo100941f

文献信息

• 4-Bis(methylthio)methylene-2-phenyloxazol-5-one: Versatile Template for Synthesis of 2-Phenyl-4,5-functionalized Oxazoles
  作者：Nimesh C. Misra、H. Ila

  DOI：10.1021/jo100941f

  日期：2010.8.6

  4-Bis(methylthio)methylene-2-phenyloxazol-5-one has been shown to be a versatile template for the synthesis of various 2-phenyl-3,4-substituted oxazoles via nucleophilic ring-opening of oxazolone with various oxygen, nitrogen, and carbon nucleophiles and subsequent 5-endo cyclization of the resulting acyclic adducts in the presence of silver carbonate.