(4-methoxyphenyl)(5-(methylthio)-2-phenyloxazol-4-yl)methanone | 1236209-46-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (4-methoxyphenyl)(5-(methylthio)-2-phenyloxazol-4-yl)methanone
• 英文别名: (4-Methoxyphenyl)-(5-methylsulfanyl-2-phenyl-1,3-oxazol-4-yl)methanone
• CAS: 1236209-46-3
• 化学式: C₁₈H₁₅NO₃S
• 分子量: 325.388
• InChiKey: UCKOCPCTOBAWSU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  77.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (4-methoxyphenyl)(5-(methylthio)-2-phenyloxazol-4-yl)methanone 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 以92%的产率得到(4-methoxyphenyl)(5-(methylsulfonyl)-2-phenyloxazol-4-yl)methanone
  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：

  N-(3-(4-methoxyphenyl)-1,1-bis(methylthio)-3-oxoprop-1-en-2-yl)benzamide 在 silver carbonate 作用下， 以 乙腈 为溶剂， 以87%的产率得到(4-methoxyphenyl)(5-(methylthio)-2-phenyloxazol-4-yl)methanone
  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.