ethyl 2-(dimethylcarbamoyl)-5-methyl-2-(1-(2-(phenylcarbamoyl)hydrazineylidene)ethyl)-1,3-oxathiole-4-carboxylate | 1425928-50-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: ethyl 2-(dimethylcarbamoyl)-5-methyl-2-(1-(2-(phenylcarbamoyl)hydrazineylidene)ethyl)-1,3-oxathiole-4-carboxylate
• CAS: 1425928-50-2
• 化学式: C₁₉H₂₄N₄O₅S
• 分子量: 420.489
• InChiKey: HXTQLNIMICBOFB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.53
• 重原子数：
  29.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  109.33
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  4-二甲氨基羰基-3-甲基-1-苯基氨基羰基-1,2-二氮杂-1,3-丁二烯 、 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39%的产率得到ethyl 2-(dimethylcarbamoyl)-5-methyl-2-(1-(2-(phenylcarbamoyl)hydrazineylidene)ethyl)-1,3-oxathiole-4-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