(Z)-2-acetoxy-3,3',4'-trimethoxystilbene | 186090-36-8

• 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: (Z)-2-acetoxy-3,3',4'-trimethoxystilbene
• 英文别名: [2-[(Z)-2-(3,4-dimethoxyphenyl)ethenyl]-6-methoxyphenyl] acetate
• CAS: 186090-36-8
• 化学式: C₁₉H₂₀O₅
• 分子量: 328.365
• InChiKey: VUBIKXOQEJDJSH-NTMALXAHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  54
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (Z)-2-acetoxy-3,3',4'-trimethoxystilbene 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 生成 (Z)-2-hydroxy-3,3',4'-trimethoxystilbene
  参考文献：
  名称：

  Investigation of Three Stilbene Derivatives by X-ray Crystallography and NMR Spectroscopy

  摘要：

  Crystal structure determinations demonstrate unambiguously the steric assignments of (Z)-2-hydroxy-3,3',4'-trimethoxystilbene (C17H18O4), (E)-2-hydroxy-3,3',4'-trimethoxystilbene (C17H18O4) and (E)-2-acetoxy-3,3',4'-trimethoxystilbene (C19H20O5) C-13 NMR data and UV data for the compounds are also reported. The steric assignments of structurally related compounds described in the literature are discussed on the basis of the crystallographic and spectral results.

  DOI：

  10.1107/s0108270198008877
• 作为产物：
  描述：

  3,4-二甲氧基苯乙酸 在 喹啉 、 chromium(III) oxide 、 potassium acetate 、 copper(II) oxide 作用下， 以 乙酸酐 为溶剂， 生成 (Z)-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