diethyl 5-methyl-2-(1-(2-(phenylcarbamoyl)hydrazineylidene)ethyl)-1,3-oxathiole-2,4-dicarboxylate | 1425928-49-9

• 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: diethyl 5-methyl-2-(1-(2-(phenylcarbamoyl)hydrazineylidene)ethyl)-1,3-oxathiole-2,4-dicarboxylate
• CAS: 1425928-49-9
• 化学式: C₁₉H₂₃N₃O₆S
• 分子量: 421.474
• InChiKey: LUVHHMOXSHGTPZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.0
• 重原子数：
  29.0
• 可旋转键数：
  7.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  115.32
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  ethyl 2-(1,3-dioxoisoindol-2-yl)sulfanyl-3-hydroxybut-2-enoate 、 1-phenylaminocarbonyl-3-methyl-4-ethoxycarbonyl-1,2-diaza-1,3-diene 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以51%的产率得到diethyl 5-methyl-2-(1-(2-(phenylcarbamoyl)hydrazineylidene)ethyl)-1,3-oxathiole-2,4-dicarboxylate
  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