<5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl>methyl hexanoate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: <5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl>methyl hexanoate
• 英文别名: [5-Hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyl hexanoate
• 化学式: C₁₄H₂₁NO₄
• 分子量: 267.325
• InChiKey: BATZCZGBYLLJDZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  19
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  79.6
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-甲基-3-羟基-4,5-二羟甲基吡啶 、 正己酸乙酯 在 Candida antarctica lipase 作用下， 以 丙酮 为溶剂， 反应 24.0h， 以69%的产率得到<5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl>methyl hexanoate
  参考文献：
  名称：

  Lipase-Catalyzed Acylation and Deacylation Reactions of Pyridoxine, a Member of Vitamin-B6 Group

  摘要：

  A series of acyloxy derivatives of pyridoxine (1) have been prepared by transesterification reactions of 1 and ethyl carboxylates, catalyzed by several lipases. Moreover, acetylated derivatives of 1 were selectively deacetylated by enzymatic catalysis in organic media.

  DOI：

  10.1002/(sici)1522-2675(19981216)81:12<2407::aid-hlca2407>3.0.co;2-x

文献信息

• Lipase-Catalyzed Acylation and Deacylation Reactions of Pyridoxine, a Member of Vitamin-B6 Group
  作者：Alicia Baldessari、Constanza P. Mangone、Eduardo G. Gros

  DOI：10.1002/(sici)1522-2675(19981216)81:12<2407::aid-hlca2407>3.0.co;2-x

  日期：1998.12.16

  A series of acyloxy derivatives of pyridoxine (1) have been prepared by transesterification reactions of 1 and ethyl carboxylates, catalyzed by several lipases. Moreover, acetylated derivatives of 1 were selectively deacetylated by enzymatic catalysis in organic media.