1-(5-(4-benzylpiperazin-1-yl)-2-phenyloxazol-4-yl)pentan-1-one | 1236209-61-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1-(5-(4-benzylpiperazin-1-yl)-2-phenyloxazol-4-yl)pentan-1-one
• 英文别名: 1-[5-(4-Benzylpiperazin-1-yl)-2-phenyl-1,3-oxazol-4-yl]pentan-1-one
• CAS: 1236209-61-2
• 化学式: C₂₅H₂₉N₃O₂
• 分子量: 403.524
• InChiKey: RMJRWJCJSFWJFI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  49.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1-苄基哌嗪 、 1-(5-(methylsulfonyl)-2-phenyloxazol-4-yl)pentan-1-one 以 N,N-二甲基甲酰胺 为溶剂， 以88%的产率得到1-(5-(4-benzylpiperazin-1-yl)-2-phenyloxazol-4-yl)pentan-1-one
  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.