2,3-bis(3,4-dimethoxyphenyl)-2-hydroxypropanoic acid | 172922-63-3

• 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: 2,3-bis(3,4-dimethoxyphenyl)-2-hydroxypropanoic acid
• CAS: 172922-63-3
• 化学式: C₁₉H₂₂O₇
• 分子量: 362.379
• InChiKey: SGBOZCJWCCFDTK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.24
• 重原子数：
  26.0
• 可旋转键数：
  8.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  94.45
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  2,3-bis(3,4-dimethoxyphenyl)-2-hydroxypropanoic acid 在 sodium acetate 、 乙酸酐 作用下， 反应 1.0h， 生成 methyl 3,4-dimethoxy-α-(3,4-dimethoxyphenyl)cinnamate
  参考文献：
  名称：

  (Z)-2,3-Bis(3,4-dimethoxyphenyl)propenoic Acid

  摘要：

  The crystal structure determination demonstrates unambiguously that the title compound, C19H20O6, has the Z configuration. The compound was synthesized starting from 2,3-bis(3,4-dimethoxyphenyl)-2-hydroxypropanoic acid, which was in turn obtained by an alkaline treatment of trans-1,3-bis(3,4-dimethoxyphenyl)-2,3-epoxy-1-propanone. H-1 NMR data for the title compound and its methyl ester are reported.

  DOI：

  10.1107/s0108270195009140
• 作为产物：
  描述：

  trans-1,3-bis(3,4-dimethoxyphenyl)-2,3-epoxy-1-propanone 在 alkali 作用下， 以85%的产率得到2,3-bis(3,4-dimethoxyphenyl)-2-hydroxypropanoic acid
  参考文献：
  名称：

  (Z)-2,3-Bis(3,4-dimethoxyphenyl)propenoic Acid

  摘要：

  The crystal structure determination demonstrates unambiguously that the title compound, C19H20O6, has the Z configuration. The compound was synthesized starting from 2,3-bis(3,4-dimethoxyphenyl)-2-hydroxypropanoic acid, which was in turn obtained by an alkaline treatment of trans-1,3-bis(3,4-dimethoxyphenyl)-2,3-epoxy-1-propanone. H-1 NMR data for the title compound and its methyl ester are reported.

  DOI：

  10.1107/s0108270195009140