4-acetyl-N-(1-hydroxy-2-methylpropan-2-yl)-1H-pyrrole-2-carboxamide

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 4-acetyl-N-(1-hydroxy-2-methylpropan-2-yl)-1H-pyrrole-2-carboxamide
• 化学式: C₁₁H₁₆N₂O₃
• mdl: MFCD12185058
• 分子量: 224.26
• InChiKey: FDGKCCRSYOLAHR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.454
• 拓扑面积：
  82.2
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-acetyl-N-(1-hydroxy-2-methylpropan-2-yl)-1H-pyrrole-2-carboxamide 在 三甲胺盐酸盐 、 甲基磺酰氯 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 13.0h， 以53%的产率得到1-(5-(4,4-dimethyl-4,5-dihydrooxazol-2-yl)-1H-pyrrol-3-yl)ethan-1-one
  参考文献：
  名称：

  Synthesis of 4,4-Dimethyl-2-(2-pyrrolyl)-2-oxazolines

  摘要：

  A practical synthesis of 4,4-dimethyl-2-oxazolines on pyrrole was achieved via the cyclization of the corresponding amides, which were derived from the trichloroacetylpyrroles. The established conditions were applicable to pyrroles bearing a ketone or an ester moiety. In addition to pyrroles, the method could be extended to the synthesis of the indole derivative.

  DOI：

  10.3987/com-18-14019
• 作为产物：
  描述：

  2-(三氯乙酰)吡咯 在 aluminum (III) chloride 、 硝基甲烷 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 23.0h， 生成 4-acetyl-N-(1-hydroxy-2-methylpropan-2-yl)-1H-pyrrole-2-carboxamide
  参考文献：
  名称：

  Synthesis of 4,4-Dimethyl-2-(2-pyrrolyl)-2-oxazolines

  摘要：

  A practical synthesis of 4,4-dimethyl-2-oxazolines on pyrrole was achieved via the cyclization of the corresponding amides, which were derived from the trichloroacetylpyrroles. The established conditions were applicable to pyrroles bearing a ketone or an ester moiety. In addition to pyrroles, the method could be extended to the synthesis of the indole derivative.

  DOI：

  10.3987/com-18-14019

文献信息

• Synthesis of 4,4-Dimethyl-2-(2-pyrrolyl)-2-oxazolines
  作者：Kentaro Okano、Kazuki Morii、Daichi Mari、Atsunori Mori

  DOI：10.3987/com-18-14019

  日期：——

  A practical synthesis of 4,4-dimethyl-2-oxazolines on pyrrole was achieved via the cyclization of the corresponding amides, which were derived from the trichloroacetylpyrroles. The established conditions were applicable to pyrroles bearing a ketone or an ester moiety. In addition to pyrroles, the method could be extended to the synthesis of the indole derivative.