(1R,4S)-2-Ethyl-2-aza-bicyclo[2.2.0]hex-5-en-3-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酰胺类
• 英文名称: (1R,4S)-2-Ethyl-2-aza-bicyclo[2.2.0]hex-5-en-3-one
• 英文别名: (1R,4S)-2-ethyl-2-azabicyclo[2.2.0]hex-5-en-3-one
• 化学式: C₇H₉NO
• 分子量: 123.155
• InChiKey: IHCCXBRRNXYSQT-NTSWFWBYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  以 甲醇 、 正己烷 为溶剂， 反应 6.0h， 生成 (1R,4S)-2-Ethyl-2-aza-bicyclo[2.2.0]hex-5-en-3-one 、 (1S,4R)-2-Ethyl-2-aza-bicyclo[2.2.0]hex-5-en-3-one
  参考文献：
  名称：

  Cyclodextrin mediated solvent-free enantioselective photocyclization of N-alkyl pyridones

  摘要：

  Irradiation of N-methyl pyridone and N-ethyl pyridone included in beta-cyclodextrin yields the pbotocylized product, chiral 2-azabicyclo [2.2.0]-hex- 5-en-3-ones, in similar to60% enantiomeric excess. The inclusion complex is readily made by mechanically mixing the host beta-cyclodextrin and the guest pyridone. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)02338-9

文献信息

• Cyclodextrin mediated solvent-free enantioselective photocyclization of N-alkyl pyridones
  作者：J Shailaja、S Karthikeyan、V Ramamurthy

  DOI：10.1016/s0040-4039(02)02338-9

  日期：2002.12

  Irradiation of N-methyl pyridone and N-ethyl pyridone included in beta-cyclodextrin yields the pbotocylized product, chiral 2-azabicyclo [2.2.0]-hex- 5-en-3-ones, in similar to60% enantiomeric excess. The inclusion complex is readily made by mechanically mixing the host beta-cyclodextrin and the guest pyridone. (C) 2002 Elsevier Science Ltd. All rights reserved.