2-(3-Methyl-quinoxalin-2-ylamino)-ethanethiol

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 2-(3-Methyl-quinoxalin-2-ylamino)-ethanethiol
• 英文别名: Quinoxaline, 2-methyl-3-(2-sulfanylethylamino)-；2-[(3-methylquinoxalin-2-yl)amino]ethanethiol
• 化学式: C₁₁H₁₃N₃S
• 分子量: 219.31
• InChiKey: PHCQTNURNUHGHS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  38.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  邻苯二胺 、 N-(2-sulfanylethyl)-2-oxopropanamide 反应 3.0h， 生成 2-(3-Methyl-quinoxalin-2-ylamino)-ethanethiol
  参考文献：
  名称：

  Possible Mechanism for Involvement of Cysteine in Aroma Production in Wine

  摘要：

  Under conditions close to those of wine, that is, low pH, aqueous medium, and low temperatures, this work describes N-(2-sulfanylethyl)-2-oxopropanamide (1), a new intermediate in the formation of 2-acetylthiazole from methylglyoxal and cysteine. 1 was characterized by MS, derivatization MS, and H-1 and C-13 NMR and was synthesized from 2-sulfanylethanamine and ethyl pyruvate. A formation pathway for 2-acetylthiazole from methylglyoxal and cysteine is proposed, in which 1 is a new intermediate in Maillard-type reactions in systems under mild conditions.

  DOI：

  10.1021/jf025604w