(5S*,6R*)-6-Ethoxy-6-isopropyl-2,2-dimethyl-1,4-diazabicyclo<3.2.0>heptan-7-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂卓
• 英文名称: (5S*,6R*)-6-Ethoxy-6-isopropyl-2,2-dimethyl-1,4-diazabicyclo<3.2.0>heptan-7-one
• 英文别名: (5S,6R)-6-ethoxy-2,2-dimethyl-6-propan-2-yl-1,4-diazabicyclo[3.2.0]heptan-7-one
• 化学式: C₁₂H₂₂N₂O₂
• 分子量: 226.319
• InChiKey: LSAKDEOYDWXLCI-JOYOIKCWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (5S*,6R*)-6-Ethoxy-6-isopropyl-2,2-dimethyl-1,4-diazabicyclo<3.2.0>heptan-7-one 在 camphor-10-sulfonic acid 作用下， 以 二氯甲烷 为溶剂， 反应 45.0h， 以74%的产率得到6,13-Diethoxy-6,13-diisopropyl-3,3,10,10-tetramethyl-1,4,8,11-tetraazacyclotetradeca-7(E),14(E)-diene-5,12-dione
  参考文献：
  名称：

  Synthesis and Exchange Reactions of 1,4,8,11-Tetraazacyclotetradeca-7(E),14(E)-diene-5,12-diones

  摘要：

  A number of functionalized, unsaturated 5,12-dioxo cyclams were synthesized by acid-catalyzed dimerization of appropriately functionalized azapenams. Although easily isolated and purified, these unsaturated tetraaza macrocycles underwent acid-catalyzed exchange reactions of the monomer unit to give mixed systems. Even a simple dihydrobenzazepine participated in this exchange process to give a ''hybrid'' macrocycle.

  DOI：

  10.1021/jo00104a039
• 作为产物：
  描述：

  triethyloxonium fluoroborate 在 palladium on activated charcoal 氢气 、 三乙胺 作用下， 以 甲醇 为溶剂， 反应 0.08h， 生成 (5S*,6R*)-6-Ethoxy-6-isopropyl-2,2-dimethyl-1,4-diazabicyclo<3.2.0>heptan-7-one
  参考文献：
  名称：

  Synthesis and Exchange Reactions of 1,4,8,11-Tetraazacyclotetradeca-7(E),14(E)-diene-5,12-diones

  摘要：

  A number of functionalized, unsaturated 5,12-dioxo cyclams were synthesized by acid-catalyzed dimerization of appropriately functionalized azapenams. Although easily isolated and purified, these unsaturated tetraaza macrocycles underwent acid-catalyzed exchange reactions of the monomer unit to give mixed systems. Even a simple dihydrobenzazepine participated in this exchange process to give a ''hybrid'' macrocycle.

  DOI：

  10.1021/jo00104a039