2-Amino-3-(carboxymethylamino)-3-(3-hydroxy-2,5-dimethylpyridin-4-yl)propanoic acid | 911142-35-3

• 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-Amino-3-(carboxymethylamino)-3-(3-hydroxy-2,5-dimethylpyridin-4-yl)propanoic acid
• CAS: 911142-35-3
• 化学式: C₁₂H₁₇N₃O₅
• 分子量: 283.284
• InChiKey: BHJKHPPXKWEGPN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -5.1
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  146
• 氢给体数：
  5
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  2-Amino-3-(carboxymethylamino)-3-(3-hydroxy-2,5-dimethylpyridin-4-yl)propanoic acid 在 六氟异丙醇 作用下， 以 水 为溶剂， 生成 3-羟基-2,5-二甲基吡啶-4-甲醛
  参考文献：
  名称：

  Claisen-Type Addition of Glycine to a Pyridoxal Iminium Ion in Water

  摘要：

  The 5'-deoxypyridoxal stabilized glycine carbanion has been generated in water at neutral and mildly basic pH. At pH < 7, this carbanion reacts mainly with the carbonyl carbon of 1 to form a stable Claisen-type adduct. At pH g 8, this carbanion reacts with the iminium carbon of the pyridoxal-glycine iminium ion to form the second Claisen-type adduct 3 as the major reaction product.

  DOI：

  10.1021/jo061090e
• 作为产物：
  描述：

  3-羟基-2,5-二甲基吡啶-4-甲醛 、 聚甘氨酸 在 六氟异丙醇 作用下， 以 水 为溶剂， 反应 5.0h， 以25%的产率得到2-Amino-3-(carboxymethylamino)-3-(3-hydroxy-2,5-dimethylpyridin-4-yl)propanoic acid
  参考文献：
  名称：

  Claisen-Type Addition of Glycine to a Pyridoxal Iminium Ion in Water

  摘要：

  The 5'-deoxypyridoxal stabilized glycine carbanion has been generated in water at neutral and mildly basic pH. At pH < 7, this carbanion reacts mainly with the carbonyl carbon of 1 to form a stable Claisen-type adduct. At pH g 8, this carbanion reacts with the iminium carbon of the pyridoxal-glycine iminium ion to form the second Claisen-type adduct 3 as the major reaction product.

  DOI：

  10.1021/jo061090e

文献信息

• Claisen-Type Addition of Glycine to a Pyridoxal Iminium Ion in Water
  作者：Krisztina Toth、Lauren M. Gaskell、John P. Richard

  DOI：10.1021/jo061090e

  日期：2006.9.1

  The 5'-deoxypyridoxal stabilized glycine carbanion has been generated in water at neutral and mildly basic pH. At pH < 7, this carbanion reacts mainly with the carbonyl carbon of 1 to form a stable Claisen-type adduct. At pH g 8, this carbanion reacts with the iminium carbon of the pyridoxal-glycine iminium ion to form the second Claisen-type adduct 3 as the major reaction product.