5-carbomethoxy-7-(3",3"-dimethylallyl)-2-(1'-hydroxy-1',5'-dimethylhex-4'-enyl)-2,3-dihydrobenzofuran

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 香豆素
• 英文名称: 5-carbomethoxy-7-(3",3"-dimethylallyl)-2-(1'-hydroxy-1',5'-dimethylhex-4'-enyl)-2,3-dihydrobenzofuran
• 英文别名: myrsinoic B methyl ester；Methyl 2-(2-hydroxy-6-methylhept-5-en-2-yl)-7-(3-methylbut-2-enyl)-2,3-dihydro-1-benzofuran-5-carboxylate
• 化学式: C₂₃H₃₂O₄
• 分子量: 372.505
• InChiKey: YSLSPYQDOAYNCM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  27
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-carbomethoxy-7-(3",3"-dimethylallyl)-2-(1'-hydroxy-1',5'-dimethylhex-4'-enyl)-2,3-dihydrobenzofuran 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 以41 mg的产率得到2-(1-Hydroxy-1,5-dimethyl-hexyl)-7-(3-methyl-butyl)-2,3-dihydro-benzofuran-5-carboxylic acid methyl ester
  参考文献：
  名称：

  Terpeno-p-hydroxybenzoic acid derivatives from Rapanea umbellata

  摘要：

  The leaves of Rapanea umbellata yielded three terpeno-p-hydroxybenzoic acid derivatives which appear to be novel. These compounds were identified on the basis of spectroscopic analysis as 3-geranyl-4-hydroxy-5-(3",3"-dimethylallyl)-benzoic acid; 5-carboxy-7-(3",3"-dimethylallyl)-2-(1'-hydroxy-1',5'-dimethylhex-4'-enyl)-2,3-dihydrobenzofuran and 6-carboxy-8-(3",3"-dimethylallyl)-3-alpha-hydroxy-2-alpha-methylpent-3'-enyl)-3,4-dihydrobenzopyran.

  DOI：

  10.1016/0031-9422(91)85060-d

文献信息

• Terpeno-p-hydroxybenzoic acid derivatives from Rapanea umbellata
  作者：Ana H. Januário、Paulo C. Vieira、M. Fátima das G.F. da Silva、João B. Fernandes

  DOI：10.1016/0031-9422(91)85060-d

  日期：1991.1

  The leaves of Rapanea umbellata yielded three terpeno-p-hydroxybenzoic acid derivatives which appear to be novel. These compounds were identified on the basis of spectroscopic analysis as 3-geranyl-4-hydroxy-5-(3",3"-dimethylallyl)-benzoic acid; 5-carboxy-7-(3",3"-dimethylallyl)-2-(1'-hydroxy-1',5'-dimethylhex-4'-enyl)-2,3-dihydrobenzofuran and 6-carboxy-8-(3",3"-dimethylallyl)-3-alpha-hydroxy-2-alpha-methylpent-3'-enyl)-3,4-dihydrobenzopyran.