2-(3-Hydroxy-4-methyl-2-oxopyridin-1-yl)acetic acid | 208592-18-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-(3-Hydroxy-4-methyl-2-oxopyridin-1-yl)acetic acid
• CAS: 208592-18-1
• 化学式: C₈H₉NO₄
• 分子量: 183.164
• InChiKey: CENRFFQJXDVKMK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  77.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(3-Hydroxy-4-methyl-2-oxopyridin-1-yl)acetic acid 在 三乙胺 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 为溶剂， 反应 2.33h， 生成 N-[2-[bis[2-[[2-(3-hydroxy-4-methyl-2-oxopyridin-1-yl)acetyl]amino]ethyl]amino]ethyl]-2-(3-hydroxy-4-methyl-2-oxopyridin-1-yl)acetamide
  参考文献：
  名称：

  Synthetic Studies into 3-Hydroxy-2(1)-pyridinone Based Hexadentate Metal(III) Ion Chelators

  摘要：

  An improved synthesis and purification of the hexadentate chelators, N,N,N,-tris[2-(3-hydroxy-2-oxo-1,2-dihydropyridin-1-yl)acetamido]ethylamine, 8a and N,N,N,-tris[2-(3-hydroxy-4-methyl-2-oxo-1,2-dihydropyridin-1-yl)acetamido]ethylamine, 8b is described.

  DOI：

  10.1080/00397919808006860
• 作为产物：
  描述：

  Ethyl 2-[3-hydroxy-4-(morpholin-4-ylmethyl)-2-oxopyridin-1-yl]acetate 在 palladium on activated charcoal sodium hydroxide 作用下， 以 乙醇 、 环己烷 为溶剂， 反应 24.0h， 生成 2-(3-Hydroxy-4-methyl-2-oxopyridin-1-yl)acetic acid
  参考文献：
  名称：

  Synthetic Studies into 3-Hydroxy-2(1)-pyridinone Based Hexadentate Metal(III) Ion Chelators

  摘要：

  An improved synthesis and purification of the hexadentate chelators, N,N,N,-tris[2-(3-hydroxy-2-oxo-1,2-dihydropyridin-1-yl)acetamido]ethylamine, 8a and N,N,N,-tris[2-(3-hydroxy-4-methyl-2-oxo-1,2-dihydropyridin-1-yl)acetamido]ethylamine, 8b is described.

  DOI：

  10.1080/00397919808006860

文献信息

• Synthetic Studies into 3-Hydroxy-2(1)-pyridinone Based Hexadentate Metal(III) Ion Chelators
  作者：Raymond C. Fox、Paul D. Taylor

  DOI：10.1080/00397919808006860

  日期：1998.5

  An improved synthesis and purification of the hexadentate chelators, N,N,N,-tris[2-(3-hydroxy-2-oxo-1,2-dihydropyridin-1-yl)acetamido]ethylamine, 8a and N,N,N,-tris[2-(3-hydroxy-4-methyl-2-oxo-1,2-dihydropyridin-1-yl)acetamido]ethylamine, 8b is described.