4-(carboxymethyl-amino)-1-methyl-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylic acid ethyl ester

• 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: 4-(carboxymethyl-amino)-1-methyl-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylic acid ethyl ester
• 英文别名: 2-[(3-ethoxycarbonyl-1-methyl-5-oxo-2H-pyrrol-4-yl)amino]acetic acid
• 化学式: C₁₀H₁₄N₂O₅
• 分子量: 242.232
• InChiKey: ACSHSJILYUYDNJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  95.9
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  N-甲基-4-羟基-5-氧代-3-吡咯啉-3-羧酸乙酯铁螯合物 在 lithium hydroxide 作用下， 以 四氢呋喃 、 乙醇 、 水 为溶剂， 生成 4-(carboxymethyl-amino)-1-methyl-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylic acid ethyl ester
  参考文献：
  名称：

  Synthesis of New N‐(5‐Oxo‐2,5‐dihydro)pyrrol‐3‐yl Glycines and N‐(5‐Oxo‐2,5‐dihydro)pyrrol‐3‐yl Glycines Esters

  摘要：

  Following our efforts towards the synthesis of new potential inhibitors of Xanthine Dehydrogenase (XDH), we describe here a general method for the preparation of N-(5-oxo-2,5-dihydro)pyrrol-3-yl glycines and N-(5-oxo-2,5-dihydro)pyrrol-3-yl glycine esters from glycine ethyl ester hydrochloride and various 4-hydroxy5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylic acid esters and carbonitriles.

  DOI：

  10.1080/00397910500191219

文献信息

• Synthesis of New N‐(5‐Oxo‐2,5‐dihydro)pyrrol‐3‐yl Glycines and N‐(5‐Oxo‐2,5‐dihydro)pyrrol‐3‐yl Glycines Esters
  作者：Fabrice Jourdan、Jens T. Kaiser、David J. Lowe

  DOI：10.1080/00397910500191219

  日期：2005.9.1

  Following our efforts towards the synthesis of new potential inhibitors of Xanthine Dehydrogenase (XDH), we describe here a general method for the preparation of N-(5-oxo-2,5-dihydro)pyrrol-3-yl glycines and N-(5-oxo-2,5-dihydro)pyrrol-3-yl glycine esters from glycine ethyl ester hydrochloride and various 4-hydroxy5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylic acid esters and carbonitriles.