methyl (2R)-3-oxo-2-propan-2-yl-2,4-dihydro-1H-quinoxaline-6-carboxylate

• 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: methyl (2R)-3-oxo-2-propan-2-yl-2,4-dihydro-1H-quinoxaline-6-carboxylate
• 化学式: C₁₃H₁₆N₂O₃
• 分子量: 248.282
• InChiKey: XHURNLYWDSQFPQ-LLVKDONJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.86
• 重原子数：
  18.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  67.43
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  甲醇 、 4-氟-3-硝基苯甲酸 、 L-缬氨酸甲酯盐酸盐 生成 methyl (2R)-3-oxo-2-propan-2-yl-2,4-dihydro-1H-quinoxaline-6-carboxylate 、 (S)-methyl 2-isopropyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylate
  参考文献：
  名称：

  Liquid phase synthesis of chiral quinoxalinones by microwave irradiation

  摘要：

  Single mode microwave-assisted combinatorial synthesis of biologically interesting quinoxalinones is described. Chiral libraries of quinoxalinone were readily assembled utilizing SNAr reactions, reduction and followed with concomitant cyclization under microwave irradiation. Enantiomeric 1,2,3,4-tetrahydroquinoxalinones were isolated in excellent yield and purity after cleavage. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2003.12.056

文献信息

• Liquid phase synthesis of chiral quinoxalinones by microwave irradiation
  作者：Chieh-Li Tung、Chung-Ming Sun

  DOI：10.1016/j.tetlet.2003.12.056

  日期：2004.2

  Single mode microwave-assisted combinatorial synthesis of biologically interesting quinoxalinones is described. Chiral libraries of quinoxalinone were readily assembled utilizing SNAr reactions, reduction and followed with concomitant cyclization under microwave irradiation. Enantiomeric 1,2,3,4-tetrahydroquinoxalinones were isolated in excellent yield and purity after cleavage. (C) 2003 Elsevier Ltd. All rights reserved.