(2R,3S)-3-Hydroxy-2-methyl-8-(3-methyl-butyl)-2-(4-methyl-pentyl)-chroman-6-carboxylic acid methyl ester | 135743-17-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: (2R,3S)-3-Hydroxy-2-methyl-8-(3-methyl-butyl)-2-(4-methyl-pentyl)-chroman-6-carboxylic acid methyl ester
• 英文别名: methyl (2R,3S)-3-hydroxy-2-methyl-8-(3-methylbutyl)-2-(4-methylpentyl)-3,4-dihydrochromene-6-carboxylate
• CAS: 135743-17-8
• 化学式: C₂₃H₃₆O₄
• 分子量: 376.536
• InChiKey: RJWCUQSTTHOZRV-NZQKXSOJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  27
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.7
• 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：

  乙酸酐 、 (2R,3S)-3-Hydroxy-2-methyl-8-(3-methyl-butyl)-2-(4-methyl-pentyl)-chroman-6-carboxylic acid methyl ester 在 吡啶 作用下， 以18 mg的产率得到(2R,3S)-3-Acetoxy-2-methyl-8-(3-methyl-butyl)-2-(4-methyl-pentyl)-chroman-6-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
• 作为产物：
  描述：

  6-carbomethoxy-8-(3",3"-dimethylallyl)-3α-hydroxy-2α-methyl-2-(4'-methylpent-3'-enyl)-3,4-dihydrobenzopyran 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 以18 mg的产率得到(2R,3S)-3-Hydroxy-2-methyl-8-(3-methyl-butyl)-2-(4-methyl-pentyl)-chroman-6-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