ethyl 5-(4-bromophenyl)-6-oxo-2-(trifluoromethyl)-1,6-dihydropyridine-3-carboxylate | 1253856-60-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: ethyl 5-(4-bromophenyl)-6-oxo-2-(trifluoromethyl)-1,6-dihydropyridine-3-carboxylate
• 英文别名: ethyl 5-(4-bromophenyl)-6-oxo-2-(trifluoromethyl)-1H-pyridine-3-carboxylate
• CAS: 1253856-60-8
• 化学式: C₁₅H₁₁BrF₃NO₃
• 分子量: 390.156
• InChiKey: XQCAOAAXQQCTKU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  ethyl 4-(4-bromophenyl)-5-carbamoyl-6-oxo-2-(trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carboxylate 在 碘苯二乙酸 、 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 1.0h， 以75%的产率得到ethyl 5-(4-bromophenyl)-6-oxo-2-(trifluoromethyl)-1,6-dihydropyridine-3-carboxylate
  参考文献：
  名称：

  First synthesis of 3-aryl-4-unsubstituted-6-CF3-pyridin-2-ones via aryl migration reaction in the presence of PhI(OAc)2/NaOH

  摘要：

  3-Aryl-4-unsubstituted-6-CF3-pyridin-2-ones have been efficiently synthesized from readily available 4-aryl-3-carbamoyl-6-CF3-pyridin-2(1H)-ones by treatment with PhI(OAc)2 in the presence of NaOH.

  DOI：

  10.1039/c0cc01815e

文献信息

• First synthesis of 3-aryl-4-unsubstituted-6-CF3-pyridin-2-ones via aryl migration reaction in the presence of PhI(OAc)2/NaOH
  作者：Hai Yi、Liping Song、Wei Wang、Jianning Liu、Shizheng Zhu、Hongmei Deng、Min Shao

  DOI：10.1039/c0cc01815e

  日期：——

  3-Aryl-4-unsubstituted-6-CF3-pyridin-2-ones have been efficiently synthesized from readily available 4-aryl-3-carbamoyl-6-CF3-pyridin-2(1H)-ones by treatment with PhI(OAc)2 in the presence of NaOH.

  3-Aryl-4-unsubstituted-6-CF3-pyridin-2-ones have been efficiently synthesized from readily available 4-aryl-3-carbamoyl-6-CF3-pyridin-2(1H)-ones by treatment with PhI(OAc)2 in the presence of NaOH.