7-nitrobicyclo[4.1.0]hexan-2-one | 1320348-33-1

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: 7-nitrobicyclo[4.1.0]hexan-2-one
• 英文别名: 7-nitrobicyclo[4.1.0]heptan-2-one
• CAS: 1320348-33-1
• 化学式: C₇H₉NO₃
• 分子量: 155.153
• InChiKey: YELGNZJJCHLKFY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.63
• 重原子数：
  11.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  60.21
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  硝基甲烷 、 1-(4-喹啉基)甲胺 在 四丁基溴化铵 、 potassium carbonate 作用下， 以 甲苯 为溶剂， 反应 72.0h， 以75%的产率得到7-nitrobicyclo[4.1.0]hexan-2-one
  参考文献：
  名称：

  Reaction of nitroalkanes with levoglucosenone and its α-bromo and α-iodo derivatives. Cyclopentaannulation of α-halocyclenones

  摘要：

  Michael reactions of levoglucosenone and its alpha-bromo and alpha-iodo derivatives with alpha,omega-dinitroalkanes were studied under conditions of chemical and electrochemical generation of base. Procedures were developed for stereospecific fusion of a cyclopentane ring to alpha-bromo- and alpha-iodolevoglucosenones, 2-iodocyclopent-2-en-1-one, and 2-iodocyclohex-2-en-1-one by the action of 2,2-dimethyl-1,3-dinitropropane.

  DOI：

  10.1134/s1070428011060145

文献信息

• Reaction of nitroalkanes with levoglucosenone and its α-bromo and α-iodo derivatives. Cyclopentaannulation of α-halocyclenones
  作者：L. Kh. Faizullina、M. G. Safarov、L. V. Spirikhin、V. S. Kolosnitsyn、Yu. A. Kondrova、F. A. Valeev

  DOI：10.1134/s1070428011060145

  日期：2011.6

  Michael reactions of levoglucosenone and its alpha-bromo and alpha-iodo derivatives with alpha,omega-dinitroalkanes were studied under conditions of chemical and electrochemical generation of base. Procedures were developed for stereospecific fusion of a cyclopentane ring to alpha-bromo- and alpha-iodolevoglucosenones, 2-iodocyclopent-2-en-1-one, and 2-iodocyclohex-2-en-1-one by the action of 2,2-dimethyl-1,3-dinitropropane.