tert-butyl 2-(1-(2-(dimethylcarbamoyl)-4-(ethoxycarbonyl)-5-methyl-1,3-oxathiol-2-yl)ethylidene)hydrazine-1-carboxylate | 1425928-56-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑啉类
• 英文名称: tert-butyl 2-(1-(2-(dimethylcarbamoyl)-4-(ethoxycarbonyl)-5-methyl-1,3-oxathiol-2-yl)ethylidene)hydrazine-1-carboxylate
• CAS: 1425928-56-8
• 化学式: C₁₇H₂₇N₃O₆S
• 分子量: 401.484
• InChiKey: RGKYESUCMYMQPT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.23
• 重原子数：
  27.0
• 可旋转键数：
  5.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  106.53
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  tert-butyl N-[4-(dimethylamino)-4-oxobut-2-en-2-yl]iminocarbamate 、 ethyl 2-(1,3-dioxoisoindol-2-yl)sulfanyl-3-hydroxybut-2-enoate 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以31%的产率得到tert-butyl 2-(1-(2-(dimethylcarbamoyl)-4-(ethoxycarbonyl)-5-methyl-1,3-oxathiol-2-yl)ethylidene)hydrazine-1-carboxylate
  参考文献：
  名称：

  Synthesis of Highly Functionalized 1,3-Oxathioles via an Unusual [4+1] Annulation of α,α'-Dioxothione with 1,2-Diaza-1,3-dienes

  摘要：

  The present method provides highly functionalized 1,3-oxathioles through an unusual base-promoted [4+1] annulation between alpha,alpha'-dioxothione, generated in situ from a phthalimide precursor, and 1,2-diaza-1,3-dienes. An intriguing scaffold comprised of spiro-fused oxathiole and pyrazolone components was also obtained in moderate yield.

  DOI：

  10.1055/s-0032-1317621