ethyl (2E,4E)-6-(1,3-dithian-2-yl)-3-ethoxy-6-hydroxyhexa-2,4-dienoate | 172508-65-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: ethyl (2E,4E)-6-(1,3-dithian-2-yl)-3-ethoxy-6-hydroxyhexa-2,4-dienoate
• CAS: 172508-65-5
• 化学式: C₁₄H₂₂O₄S₂
• 分子量: 318.458
• InChiKey: IGZNAJWNMQDNKH-MVQNEBOGSA-N

物化性质

• 沸点：
  501.0±50.0 °C(predicted)
• 密度：
  1.190±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  20
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  106
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  ethyl (2E,4E)-6-(1,3-dithian-2-yl)-3-ethoxy-6-hydroxyhexa-2,4-dienoate 在 氢溴酸 作用下， 以 四氢呋喃 为溶剂， 以92%的产率得到ethyl 5-(1,3-dithian-2-yl)-2-furylacetate
  参考文献：
  名称：

  A facile synthesis of 5-substituted 2-furylacetates via 6-hydroxy-3-oxo-4-hexenoates

  摘要：

  6-Substituted 3-ethoxy-6-hydroxy-2,4-hexadienoates (4) which were prepared by reaction of ethyl (4E)-3-ethoxy-5-formyl-2,4-pentadienoate (3a) with nucleophiles or sodium borohydride reduction of 6-substituted 3-ethoxy-6-oxo-2,4-hexadienoates (3b-e) have been converted in very good yields into 5-substituted 2-furylacetates (5) by treating with 47%HBr in THF.

  DOI：

  10.1016/0040-4039(95)01612-l
• 作为产物：
  描述：

  (E)-(2-ethoxy-3-ethoxycarbonylallylidene)triphenylphosphorane 以 四氢呋喃 为溶剂， 反应 3.0h， 生成 ethyl (2E,4E)-6-(1,3-dithian-2-yl)-3-ethoxy-6-hydroxyhexa-2,4-dienoate
  参考文献：
  名称：

  A facile synthesis of 5-substituted 2-furylacetates via 6-hydroxy-3-oxo-4-hexenoates

  摘要：

  6-Substituted 3-ethoxy-6-hydroxy-2,4-hexadienoates (4) which were prepared by reaction of ethyl (4E)-3-ethoxy-5-formyl-2,4-pentadienoate (3a) with nucleophiles or sodium borohydride reduction of 6-substituted 3-ethoxy-6-oxo-2,4-hexadienoates (3b-e) have been converted in very good yields into 5-substituted 2-furylacetates (5) by treating with 47%HBr in THF.

  DOI：

  10.1016/0040-4039(95)01612-l

文献信息

• A facile synthesis of 5-substituted 2-furylacetates via 6-hydroxy-3-oxo-4-hexenoates
  作者：Tomikazu Kawano、Toru Ogawa、Saiful Md. Islam、Ikuo Ueda

  DOI：10.1016/0040-4039(95)01612-l

  日期：1995.10

  6-Substituted 3-ethoxy-6-hydroxy-2,4-hexadienoates (4) which were prepared by reaction of ethyl (4E)-3-ethoxy-5-formyl-2,4-pentadienoate (3a) with nucleophiles or sodium borohydride reduction of 6-substituted 3-ethoxy-6-oxo-2,4-hexadienoates (3b-e) have been converted in very good yields into 5-substituted 2-furylacetates (5) by treating with 47%HBr in THF.
• A Facile Synthesis of 5-Substituted 2-Furyl-, 2-Thienyl- and 2-Pyrrolylacetates by Cyclodehydration of g-Functionalized a,b-Unsaturated Ketones
  作者：Ikuo Ueda、Tomikazu Kawano、Toru Ogawa、Saiful Md. Islam

  DOI：10.3987/com-99-s141

  日期：——