2-oxo-2-(4-phenyl-2-(p-tolyl)oxazol-5-yl)ethyl 4-methylbenzoate | 1582306-75-9

• 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-oxo-2-(4-phenyl-2-(p-tolyl)oxazol-5-yl)ethyl 4-methylbenzoate
• 英文别名: [2-[2-(4-Methylphenyl)-4-phenyl-1,3-oxazol-5-yl]-2-oxoethyl] 4-methylbenzoate；[2-[2-(4-methylphenyl)-4-phenyl-1,3-oxazol-5-yl]-2-oxoethyl] 4-methylbenzoate
• CAS: 1582306-75-9
• 化学式: C₂₆H₂₁NO₄
• 分子量: 411.457
• InChiKey: CRDRXTVNHAPCEX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  69.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  (E)-2-iodo-2-(4-phenyl-2-(p-tolyl)oxazol-5(4H)-ylidene)ethyl 4-methylbenzoate 在 氧气 作用下， 以 1,2-二氯乙烷 为溶剂， 以80%的产率得到2-oxo-2-(4-phenyl-2-(p-tolyl)oxazol-5-yl)ethyl 4-methylbenzoate
  参考文献：
  名称：

  From Propargylamides to Oxazole Derivatives: NIS-Mediated Cyclization and Further Oxidation by Dioxygen

  摘要：

  NIS-mediated iodocyclization of N-sulfonyl propargylamides for the synthesis of various oxazolidines and iodoalkylidenedihydrooxazoles via a 5-exo-dig process is developed. The resulting iodoalkylidenedihydrooxazoles can be further transformed into the corresponding oxazoles in the presence of dioxygen.

  DOI：

  10.1021/jo5001719

文献信息

• From Propargylamides to Oxazole Derivatives: NIS-Mediated Cyclization and Further Oxidation by Dioxygen
  作者：Yancheng Hu、Ruxia Yi、Chunxiang Wang、Xiaoyi Xin、Fan Wu、Boshun Wan

  DOI：10.1021/jo5001719

  日期：2014.4.4

  NIS-mediated iodocyclization of N-sulfonyl propargylamides for the synthesis of various oxazolidines and iodoalkylidenedihydrooxazoles via a 5-exo-dig process is developed. The resulting iodoalkylidenedihydrooxazoles can be further transformed into the corresponding oxazoles in the presence of dioxygen.