3-ethyl-3-phenylsulfanyldihydrofuran-2-one | 189884-71-7

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 3-ethyl-3-phenylsulfanyldihydrofuran-2-one
• 英文别名: 3-ethyl-3-phenylsulfanyloxolan-2-one
• CAS: 189884-71-7
• 化学式: C₁₂H₁₄O₂S
• 分子量: 222.308
• InChiKey: AFSBBJCETOORIL-UHFFFAOYSA-N

物化性质

• 沸点：
  382.9±35.0 °C(Predicted)
• 密度：
  1.18±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.87
• 重原子数：
  15.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  3-ethyl-3-phenylsulfanyldihydrofuran-2-one 在 间氯过氧苯甲酸 作用下， 以 四氯化碳 、 二氯甲烷 为溶剂， 反应 1.0h， 生成 3-ethyl-2-(5H)-furanone
  参考文献：
  名称：

  N-Phthaloylglycine-Derived Strigol Analogues. Influence of the D-Ring on Seed Germination Activity of the Parasitic Weeds Striga hermonthica and Orobanche crenata

  摘要：

  Several strigol analogues with modifications in the D-ring were synthesized and assayed for germination stimulatory activity of seeds of Striga hermonthica and Orobanche crenata. All of these D-ring analogues are derived from N-phthaloylglycine as the common ABC-fragment. It was concluded that the correct structure of the 2(5H)-furanone D-ring is essential to retain full biological activity.

  DOI：

  10.1021/jf9604652
• 作为产物：
  描述：

  3-(phenylsulfanyl)-3,4-dihydrofuran-2-one 、 碘乙烷 在 lithium diisopropyl amide 作用下， 生成 3-ethyl-3-phenylsulfanyldihydrofuran-2-one
  参考文献：
  名称：

  N-Phthaloylglycine-Derived Strigol Analogues. Influence of the D-Ring on Seed Germination Activity of the Parasitic Weeds Striga hermonthica and Orobanche crenata

  摘要：

  Several strigol analogues with modifications in the D-ring were synthesized and assayed for germination stimulatory activity of seeds of Striga hermonthica and Orobanche crenata. All of these D-ring analogues are derived from N-phthaloylglycine as the common ABC-fragment. It was concluded that the correct structure of the 2(5H)-furanone D-ring is essential to retain full biological activity.

  DOI：

  10.1021/jf9604652