ethyl 2-(2-oxophenylethyl)-5-methyl(pyrrol-1-yl)propionate | 477335-96-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: ethyl 2-(2-oxophenylethyl)-5-methyl(pyrrol-1-yl)propionate
• 英文别名: Ethyl 3-(2-methyl-5-phenacylpyrrol-1-yl)propanoate
• CAS: 477335-96-9
• 化学式: C₁₈H₂₁NO₃
• 分子量: 299.37
• InChiKey: XBITWRQWKNMRDR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  22
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  48.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  ethyl 2-(2-oxophenylethyl)-5-methyl(pyrrol-1-yl)propionate 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 反应 6.0h， 以60%的产率得到(7-ethoxy-3-methyl-5,6-dihydroindalozin-8-yl)-phenylmethanone
  参考文献：
  名称：

  Pyrrolizine and Indolizine Derivatives from 1,6-Dioxo-2,4-diene by Inter- and Intramolecular Ring Closure

  摘要：

  A variety of 1-amino-alkyl esters and nitriles react with 1,6-dioxo-2,4-diene to give pyrrole derivatives in good yield. Mild basic conditions facilitate the further intramoleular Dieckmann or Thorpe like condensation giving pyrrolizine and indolizine derivatives. These reactions provide simple, two step sequence to pyrrolizine and indolizine derivatives with control of product dictated by the base used for the condensation reaction.

  DOI：

  10.3987/com-02-9494
• 作为产物：
  描述：

  beta-丙氨酸乙酯盐酸盐 、 1-phenyl-1,6-dioxo-hepta-2,4-(E,E)-diene 在 sodium carbonate 作用下， 以 乙醇 为溶剂， 反应 6.0h， 以95%的产率得到ethyl 2-(2-oxophenylethyl)-5-methyl(pyrrol-1-yl)propionate
  参考文献：
  名称：

  Pyrrolizine and Indolizine Derivatives from 1,6-Dioxo-2,4-diene by Inter- and Intramolecular Ring Closure

  摘要：

  A variety of 1-amino-alkyl esters and nitriles react with 1,6-dioxo-2,4-diene to give pyrrole derivatives in good yield. Mild basic conditions facilitate the further intramoleular Dieckmann or Thorpe like condensation giving pyrrolizine and indolizine derivatives. These reactions provide simple, two step sequence to pyrrolizine and indolizine derivatives with control of product dictated by the base used for the condensation reaction.

  DOI：

  10.3987/com-02-9494