4-O-ethyl 2-O-methyl 5-methyl-2-[N-[(2-methylpropan-2-yl)oxycarbonylamino]-C-propylcarbonimidoyl]-1,3-oxathiole-2,4-dicarboxylate | 1425928-55-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 4-O-ethyl 2-O-methyl 5-methyl-2-[N-[(2-methylpropan-2-yl)oxycarbonylamino]-C-propylcarbonimidoyl]-1,3-oxathiole-2,4-dicarboxylate
• CAS: 1425928-55-7
• 化学式: C₁₈H₂₈N₂O₇S
• 分子量: 416.496
• InChiKey: IPAULIMHUBOYND-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.09
• 重原子数：
  28.0
• 可旋转键数：
  7.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  112.52
• 氢给体数：
  1.0
• 氢受体数：
  9.0

反应信息

• 作为产物：
  描述：

  methyl 3-[(2-methylpropan-2-yl)oxycarbonyldiazenyl]hex-2-enoate 、 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69%的产率得到4-O-ethyl 2-O-methyl 5-methyl-2-[N-[(2-methylpropan-2-yl)oxycarbonylamino]-C-propylcarbonimidoyl]-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