(1R,3R)-6-(4-Chloro-phenyl)-1-((S)-3-ethyl-4,5-dihydro-isoxazol-5-yl)-4,6-diaza-spiro[2.4]heptane-5,7-dione

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: (1R,3R)-6-(4-Chloro-phenyl)-1-((S)-3-ethyl-4,5-dihydro-isoxazol-5-yl)-4,6-diaza-spiro[2.4]heptane-5,7-dione
• 英文别名: (2R,3R)-6-(4-chlorophenyl)-2-[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]-4,6-diazaspiro[2.4]heptane-5,7-dione
• 化学式: C₁₆H₁₆ClN₃O₃
• 分子量: 333.774
• InChiKey: FBPAAMSFCUZHFT-HEHGZKQESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  71
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  对氯苯异氰酸酯 、 硝基丙烷 、 (1R,2S)-1-叔丁氧羰基氨基-2-乙烯基环丙烷甲酸 生成 (1R,3R)-6-(4-Chloro-phenyl)-1-((S)-3-ethyl-4,5-dihydro-isoxazol-5-yl)-4,6-diaza-spiro[2.4]heptane-5,7-dione
  参考文献：
  名称：

  Diastereoselective Solid-Phase Synthesis of Novel Hydantoin- and Isoxazoline-Containing Heterocycles

  摘要：

  Exploiting 1,3-dipolar cycloaddition and carbanilide cyclization transformations, we have prepared novel spirocyclic isoxazoloimidazolidinedione heterocycles of generalized structures II and III on solid phase starting from Merrifield resin. Cyclopentanoid isoxazoloimidazolidinedione II was obtained with complete diastereoselectivity, and cyclopropanoid isoxazoloimidazolidinedione III was obtained as an approximate to 2:1 mixture of diastereomers.

  DOI：

  10.1021/jo9807161