(E)-3-(2-acetoxy-3-methoxyphenyl)-2-(3,4-dimethoxyphenyl)-propenoic acid | 186090-37-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: (E)-3-(2-acetoxy-3-methoxyphenyl)-2-(3,4-dimethoxyphenyl)-propenoic acid
• CAS: 186090-37-9
• 化学式: C₂₀H₂₀O₇
• 分子量: 372.375
• InChiKey: LRVJZDBZNQVGDE-XNTDXEJSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.26
• 重原子数：
  27.0
• 可旋转键数：
  7.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  91.29
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  (E)-3-(2-acetoxy-3-methoxyphenyl)-2-(3,4-dimethoxyphenyl)-propenoic acid 在 吡啶 、 喹啉 、 chromium(III) oxide 、 copper(II) oxide 作用下， 反应 24.0h， 生成 (E)-2-acetoxy-3,3',4'-trimethoxystilbene
  参考文献：
  名称：

  (Z)-2-Acetoxy-3,3',4'-trimethoxystilbene

  摘要：

  The crystal structure determination demonstrates unambiguously that the title compound, 2-[(Z)-3,4-dimethoxyphenylethenyl]-6-methoxypheenyl acetate, C19H20O5, has the Z configuration. The title compound was prepared by decarboxylation of (E)-3-(2-acetoxy-3 -methoxyphenyl)-2-(3,4-dimethoxyphenyl)propenoic acid; this compound was in turn obtained by condensation of 2-acetoxy-3-methoxybenzaldehyde with (3,4-dimethoxyphenyl)acetic acid. H-1 NMR data for the titie compound and the isomeric (E)-2-acetoxy-3,3',4'-trimethoxystilbene are reported.

  DOI：

  10.1107/s0108270196011079
• 作为产物：
  描述：

  3,4-二甲氧基苯乙酸 、 2-乙酰氧基-3-甲氧基苯甲醛 在 potassium acetate 作用下， 以 乙酸酐 为溶剂， 以1.08 g的产率得到(E)-3-(2-acetoxy-3-methoxyphenyl)-2-(3,4-dimethoxyphenyl)-propenoic acid
  参考文献：
  名称：

  (Z)-2-Acetoxy-3,3',4'-trimethoxystilbene

  摘要：

  The crystal structure determination demonstrates unambiguously that the title compound, 2-[(Z)-3,4-dimethoxyphenylethenyl]-6-methoxypheenyl acetate, C19H20O5, has the Z configuration. The title compound was prepared by decarboxylation of (E)-3-(2-acetoxy-3 -methoxyphenyl)-2-(3,4-dimethoxyphenyl)propenoic acid; this compound was in turn obtained by condensation of 2-acetoxy-3-methoxybenzaldehyde with (3,4-dimethoxyphenyl)acetic acid. H-1 NMR data for the titie compound and the isomeric (E)-2-acetoxy-3,3',4'-trimethoxystilbene are reported.

  DOI：

  10.1107/s0108270196011079