4-methoxy-2-(3-methyloxiran-2-yl)-phenyl 2-methyl-2,3-epoxybutanoate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: 4-methoxy-2-(3-methyloxiran-2-yl)-phenyl 2-methyl-2,3-epoxybutanoate
• 英文别名: [4-Methoxy-2-(3-methyloxiran-2-yl)phenyl] 2,3-dimethyloxirane-2-carboxylate；[4-methoxy-2-(3-methyloxiran-2-yl)phenyl] 2,3-dimethyloxirane-2-carboxylate
• 化学式: C₁₅H₁₈O₅
• 分子量: 278.305
• InChiKey: GXMAJOKCDDQRID-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  60.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-methoxy-2-(3-methyloxiranyl)phenyl angelate 在 2甲4氯丁酸 作用下， 以 二氯甲烷 为溶剂， 反应 18.0h， 以90%的产率得到4-methoxy-2-(3-methyloxiran-2-yl)-phenyl 2-methyl-2,3-epoxybutanoate
  参考文献：
  名称：

  Phenylpropanoids from Pimpinella villosa

  摘要：

  The most abundant non-polar components from the roots of Pimpinella villosa have been identified as phenylpropanoids related to pseudoisoeugenol. Their structures were determined by spectroscopic methods and chemical transformations and, to our knowledge, two of the four isolated phenylpropanoids (the two epoxyangelates), are new natural products. A slight antitumour activity was detected for the new pseudoisoeugenol derivatives.

  DOI：

  10.1016/0031-9422(94)85095-x

文献信息

• Phenylpropanoids from Pimpinella villosa
  作者：María J. Macías、Vicente Martín、Manuel Grande、Karl-Heinz Kubeczka

  DOI：10.1016/0031-9422(94)85095-x

  日期：1994.1

  The most abundant non-polar components from the roots of Pimpinella villosa have been identified as phenylpropanoids related to pseudoisoeugenol. Their structures were determined by spectroscopic methods and chemical transformations and, to our knowledge, two of the four isolated phenylpropanoids (the two epoxyangelates), are new natural products. A slight antitumour activity was detected for the new pseudoisoeugenol derivatives.