(2E,5E)-ethyl 4-methyl-3-phenylhepta-2,5-dienoate | 1067227-62-6

• 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: (2E,5E)-ethyl 4-methyl-3-phenylhepta-2,5-dienoate
• 英文别名: ethyl (2E,5E)-4-methyl-3-phenylhepta-2,5-dienoate
• CAS: 1067227-62-6
• 化学式: C₁₆H₂₀O₂
• 分子量: 244.334
• InChiKey: DZPRWPAGZRURTM-QMZAVZIESA-N

物化性质

• 沸点：
  341.8±32.0 °C(predicted)
• 密度：
  0.990±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  (E)-ethyl 4-methyl-3-phenyl-3-(phenylsulfonyl)hept-5-enoate 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 反应 0.25h， 生成 (2Z,5E)-ethyl 4-methyl-3-phenylhepta-2,5-dienoate 、 (2E,5E)-ethyl 4-methyl-3-phenylhepta-2,5-dienoate
  参考文献：
  名称：

  Decarboxylative Allylation using Sulfones as Surrogates of Alkanes

  摘要：

  alpha-Sulfonyl functional groups are traceless activating groups that facilitate catalytic decarboxylative allylations in high yield yet can be cleaved to allow the synthesis of simple allylated alkanes. Substrate studies suggest that decarboxylation to form an a-sulfonyl anion is rate-limiting. Furthermore, the anion is formed reglospecifically under formally neutral conditions.

  DOI：

  10.1021/ol801951e

文献信息

• Decarboxylative Allylation using Sulfones as Surrogates of Alkanes
  作者：Jimmie D. Weaver、Jon A. Tunge

  DOI：10.1021/ol801951e

  日期：2008.10.16

  alpha-Sulfonyl functional groups are traceless activating groups that facilitate catalytic decarboxylative allylations in high yield yet can be cleaved to allow the synthesis of simple allylated alkanes. Substrate studies suggest that decarboxylation to form an a-sulfonyl anion is rate-limiting. Furthermore, the anion is formed reglospecifically under formally neutral conditions.