4-氨基-N-羟基-3-氧代-1,2-恶唑烷-5-甲酰胺 | 66619-96-3

• 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
• 中文名称: 4-氨基-N-羟基-3-氧代-1,2-恶唑烷-5-甲酰胺
• 英文名称: 4-amino-3-oxoisoxazolidine-5-carboxylic acid N-hydroxyamide
• 英文别名: 4-amino-5-carbohydroxamido-3-isoxazolidone；4-amino-3-oxo-isoxazolidine-5-carboxylic acid hydroxyamide；4-Amino-N-hydroxy-3-oxoisoxazolidine-5-carboxamide；4-amino-N-hydroxy-3-oxo-1,2-oxazolidine-5-carboxamide
• CAS: 66619-96-3
• 化学式: C₄H₇N₃O₄
• 分子量: 161.117
• InChiKey: UPYGFMGJDCNQCC-UHFFFAOYSA-N

物化性质

• 密度：
  1.596±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -2.1
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  114
• 氢给体数：
  4
• 氢受体数：
  5

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  4-氨基-N-羟基-3-氧代-1,2-恶唑烷-5-甲酰胺 在 lithium hydroxide 、 titanium(III) chloride 作用下， 以 水 为溶剂， 以78%的产率得到4-氨基-3-氧代-1,2-恶唑烷-5-甲酰胺
  参考文献：
  名称：

  Synthesis and pharmacological assessment of derivatives of isoxazolo[4,5-d]pyrimidine

  摘要：

  A series of new 5-alkyl and 5-arylisoxazolo[4,5-d]pyrimidinones (5a-g, 6-8) were prepared from 4-amino-3-oxo-isoxazolidine-5-carboxylic acid amide. Some of the aryl derivatives of isoxazolo[4,5-d]pyrimidine were tested pharmacologically in comparison with Diazepam. Compounds 5b-d and 7 demonstrated interesting anxiolytic activity.(dagger) (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2003.10.004
• 作为产物：
  描述：

  dimethyl β-chloroaspartate hydrochoride 在 盐酸羟胺 、 sodium methylate 、 lithium methanolate 作用下， 以 甲醇 为溶剂， 以96.4%的产率得到4-氨基-N-羟基-3-氧代-1,2-恶唑烷-5-甲酰胺
  参考文献：
  名称：

  Synthesis and pharmacological assessment of derivatives of isoxazolo[4,5-d]pyrimidine

  摘要：

  A series of new 5-alkyl and 5-arylisoxazolo[4,5-d]pyrimidinones (5a-g, 6-8) were prepared from 4-amino-3-oxo-isoxazolidine-5-carboxylic acid amide. Some of the aryl derivatives of isoxazolo[4,5-d]pyrimidine were tested pharmacologically in comparison with Diazepam. Compounds 5b-d and 7 demonstrated interesting anxiolytic activity.(dagger) (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2003.10.004

文献信息

• Synthesis and pharmacological assessment of derivatives of isoxazolo[4,5-d]pyrimidine
  作者：Edwin Wagner、Lilianna Becan、Elżbieta Nowakowska

  DOI：10.1016/j.bmc.2003.10.004

  日期：2004.1

  A series of new 5-alkyl and 5-arylisoxazolo[4,5-d]pyrimidinones (5a-g, 6-8) were prepared from 4-amino-3-oxo-isoxazolidine-5-carboxylic acid amide. Some of the aryl derivatives of isoxazolo[4,5-d]pyrimidine were tested pharmacologically in comparison with Diazepam. Compounds 5b-d and 7 demonstrated interesting anxiolytic activity.(dagger) (C) 2003 Elsevier Ltd. All rights reserved.