2-methyl-6-oxo-1,4,5,6-tetrahydro-pyridine-3-carboxylic acid benzyl ester | 1450852-52-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-methyl-6-oxo-1,4,5,6-tetrahydro-pyridine-3-carboxylic acid benzyl ester
• 英文别名: benzyl 6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
• CAS: 1450852-52-4
• 化学式: C₁₄H₁₅NO₃
• 分子量: 245.278
• InChiKey: SYOSBOCSCWKBBD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  乙酰丙酮苄酯 、 丙烯酸 在 ammonium acetate 作用下， 反应 5.0h， 以68%的产率得到2-methyl-6-oxo-1,4,5,6-tetrahydro-pyridine-3-carboxylic acid benzyl ester
  参考文献：
  名称：

  One-Pot Synthesis of 3,4-Dihydropyridin-2-one via Michael Addition of in situ–Generated Enaminones

  摘要：

  Herein we have reported a facile solvent-, catalyst-, and aldehyde-free, one-pot synthesis of 3,4-dihydropyridin-2-one from 1,3-diones using simple and mild reaction conditions. The substrate scope has been also extended to -ketoesters. [Supplementary materials are available for this article. Go to the publisher's online edition of Synthetic Communications (R) for the following free supplemental resource: Full experimental and spectral details.]

  DOI：

  10.1080/00397911.2012.761239

文献信息

• One-Pot Synthesis of 3,4-Dihydropyridin-2-one via Michael Addition of in situ–Generated Enaminones
  作者：J. B. Senthil Kumar、Neeta Kumari、Pratibha Mehta Luthra

  DOI：10.1080/00397911.2012.761239

  日期：2013.11.17

  Herein we have reported a facile solvent-, catalyst-, and aldehyde-free, one-pot synthesis of 3,4-dihydropyridin-2-one from 1,3-diones using simple and mild reaction conditions. The substrate scope has been also extended to -ketoesters. [Supplementary materials are available for this article. Go to the publisher's online edition of Synthetic Communications (R) for the following free supplemental resource: Full experimental and spectral details.]