(Z)-3-carbomethoxy-2-iodoprop-2-en-1-yl 3-oxo-pentanoate | 1246264-04-9

• 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: (Z)-3-carbomethoxy-2-iodoprop-2-en-1-yl 3-oxo-pentanoate
• CAS: 1246264-04-9
• 化学式: C₁₀H₁₃IO₅
• 分子量: 340.115
• InChiKey: LSYHAYYYVYDRKT-DAXSKMNVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.39
• 重原子数：
  16.0
• 可旋转键数：
  6.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  69.67
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  (Z)-3-carbomethoxy-2-iodoprop-2-en-1-yl 3-oxo-pentanoate 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 8.0h， 生成 (5H)-3-propionyl-4-methoxycarbonylmethylfuran-2-one
  参考文献：
  名称：

  Synthesis of demethylated nidulol via an intramolecular Michael reaction

  摘要：

  An expeditious synthesis of 5,7-dihydroxy-6-methylphthalide from open-chain precursors is described. The key intermediates, synthons 3 and 4, were readily obtained from accessible materials and were further transformed to a common precursor, a five-membered lactone derivative, via an intramolecular Michael addition. Lactone 2 was aromatised to the phthalide system under basic conditions. The process thus constitutes a formal synthesis of the phthalide framework.

  DOI：

  10.1080/14786410903458265
• 作为产物：
  描述：

  methyl (Z)-4-hydroxy-3-iodobut-2-enoate 、 5-(1-hydroxypropylidene)-2,2-dimethyl-[1,3]dioxane-4,6-dione 以 苯 为溶剂， 反应 20.0h， 以90%的产率得到(Z)-3-carbomethoxy-2-iodoprop-2-en-1-yl 3-oxo-pentanoate
  参考文献：
  名称：

  Synthesis of demethylated nidulol via an intramolecular Michael reaction

  摘要：

  An expeditious synthesis of 5,7-dihydroxy-6-methylphthalide from open-chain precursors is described. The key intermediates, synthons 3 and 4, were readily obtained from accessible materials and were further transformed to a common precursor, a five-membered lactone derivative, via an intramolecular Michael addition. Lactone 2 was aromatised to the phthalide system under basic conditions. The process thus constitutes a formal synthesis of the phthalide framework.

  DOI：

  10.1080/14786410903458265