2-(1,3-Dithiane-2-ylidene)-3-oxo-5-(4-nitrophenyl)-4-pentenoic acid

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 2-(1,3-Dithiane-2-ylidene)-3-oxo-5-(4-nitrophenyl)-4-pentenoic acid
• 英文别名: (E)-2-(1,3-dithian-2-ylidene)-5-(4-nitrophenyl)-3-oxopent-4-enoic acid
• 化学式: C₁₅H₁₃NO₅S₂
• 分子量: 351.404
• InChiKey: GUHJBXGNKIFIIG-QPJJXVBHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  151
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-(1,3-Dithiane-2-ylidene)-3-oxo-5-(4-nitrophenyl)-4-pentenoic acid 在 碘 、 碳酸氢钠 作用下， 以 二氯甲烷 为溶剂， 反应 6.0h， 以89%的产率得到(E)-1-(1,3-dithian-2-ylidene)-1-iodo-4-(4-nitrophenyl)but-3-en-2-one
  参考文献：
  名称：

  IODODECARBOXYLATION OF α-CARBOXYLATE, α-CINNAMOYL KETENE CYCLIC DITHIOACETALS

  摘要：

  The iododecarboxylation reaction of alpha-carboxylate, alpha-cinnamoyl ketene cyclic dithioacetals 2 was successfully performed with iodine as halogenation reagent and in water insensitive media. This reaction provides a mild and efficient method for the preparation of alpha-iodo, alpha-cinnamoyl ketene cyclic dithioacetals 3 which are important kinds of potential new intermediates to be valued.

  DOI：

  10.1081/scc-120014773
• 作为产物：
  描述：

  对硝基苯甲醛 、 ethyl 2-(1,3-dithian-2-ylidene)-3-oxobutyric acid 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 生成 2-(1,3-Dithiane-2-ylidene)-3-oxo-5-(4-nitrophenyl)-4-pentenoic acid
  参考文献：
  名称：

  IODODECARBOXYLATION OF α-CARBOXYLATE, α-CINNAMOYL KETENE CYCLIC DITHIOACETALS

  摘要：

  The iododecarboxylation reaction of alpha-carboxylate, alpha-cinnamoyl ketene cyclic dithioacetals 2 was successfully performed with iodine as halogenation reagent and in water insensitive media. This reaction provides a mild and efficient method for the preparation of alpha-iodo, alpha-cinnamoyl ketene cyclic dithioacetals 3 which are important kinds of potential new intermediates to be valued.

  DOI：

  10.1081/scc-120014773

文献信息

• IODODECARBOXYLATION OF α-CARBOXYLATE, α-CINNAMOYL KETENE CYCLIC DITHIOACETALS
  作者：Mang Wang、Xian-Xiu Xu、Qun Liu、Li Xiong、Bin Yang、Lian-Xun Gao

  DOI：10.1081/scc-120014773

  日期：2002.1

  The iododecarboxylation reaction of alpha-carboxylate, alpha-cinnamoyl ketene cyclic dithioacetals 2 was successfully performed with iodine as halogenation reagent and in water insensitive media. This reaction provides a mild and efficient method for the preparation of alpha-iodo, alpha-cinnamoyl ketene cyclic dithioacetals 3 which are important kinds of potential new intermediates to be valued.