(Z)-2,4'-diacetoxy-3,3'-dimethoxy-5'-methylstilbene | 97402-77-2

• 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)-2,4'-diacetoxy-3,3'-dimethoxy-5'-methylstilbene
• 英文别名: cis-2',4-diacetoxy-3,3'-dimethoxy-5'-methylstilbene
• CAS: 97402-77-2
• 化学式: C₂₁H₂₂O₆
• 分子量: 370.402
• InChiKey: OWPXZEXSHFEKJO-VURMDHGXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.03
• 重原子数：
  27.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  71.06
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  (Z)-2,4'-diacetoxy-3,3'-dimethoxy-5'-methylstilbene 在 lithium aluminium tetrahydride 作用下， 生成 (Z)-2,4'-dihydroxy-3,3'-dimethoxy-5'-methylstilbene
  参考文献：
  名称：

  An investigation of 2,4'-dihydroxy-3,3'-dimethoxy-5'-methylstilbene using X-ray crystallography and NMR spectroscopy

  摘要：

  The E and Z forms of the title compound, C17H18O4, were examined by C-13 NMR and H-1 NMR spectroscopy, and the crystal structure of the E form (m.p. 397-398 K) was determined by X-ray crystallography. Earlier reported spectral data for these two isomeric stilbenes are complemented or revised on the basis of these results.

  DOI：

  10.1107/s0108270199000670
• 作为产物：
  描述：

  乙酰香兰素 在 dimethyl sulfide borane 、 三溴化磷 作用下， 生成 (Z)-2,4'-diacetoxy-3,3'-dimethoxy-5'-methylstilbene
  参考文献：
  名称：

  An investigation of 2,4'-dihydroxy-3,3'-dimethoxy-5'-methylstilbene using X-ray crystallography and NMR spectroscopy

  摘要：

  The E and Z forms of the title compound, C17H18O4, were examined by C-13 NMR and H-1 NMR spectroscopy, and the crystal structure of the E form (m.p. 397-398 K) was determined by X-ray crystallography. Earlier reported spectral data for these two isomeric stilbenes are complemented or revised on the basis of these results.

  DOI：

  10.1107/s0108270199000670