2,6-dimethylthieno[2,3-b]pyridin-3(2H)-one hydrochloride | 55023-33-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并吡啶类
• 英文名称: 2,6-dimethylthieno[2,3-b]pyridin-3(2H)-one hydrochloride
• 英文别名: 4,6-dimethyl-thieno[2,3-b]pyridin-3-ol; hydrochloride；4,6-dimethyl-thieno[2,3-b]pyridin-3-one; hydrochloride；4,6-Dimethylthieno[2,3-b]pyridin-3-one;hydrochloride；4,6-dimethylthieno[2,3-b]pyridin-3-one;hydrochloride
• CAS: 55023-33-1
• 化学式: C₉H₉NOS*ClH
• 分子量: 215.703
• InChiKey: XLRKCMVANQJFER-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.41
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  55.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  methyl (2S)-4-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-4-oxo-2-[(2,2,2-trifluoroacetyl)amino]butanoate 在 盐酸 作用下， 反应 2.0h， 以70%的产率得到2,6-dimethylthieno[2,3-b]pyridin-3(2H)-one hydrochloride
  参考文献：
  名称：

  Reactions of (S)-N-trifluoroacetyl-5-bromo-4-oxonorvaline methyl ester with vicinal mercaptonitriles. Synthesis of δ-hetaryl-substituted α-amino acids

  摘要：

  The reactions of (S)-N-trifluoroacetyl-5-bromo-4-oxonorvaline methyl ester with vicinal mercaptonitriles afforded delta-hetaryl-N-trifluoroacetyl-substituted alpha-amino acids (hetaryl is thiazol-2-yl, 2-thienyl, or thieno[2,3-b]pyridin-6-yl).

  DOI：

  10.1023/b:rucb.0000009653.64403.cc

文献信息

• Reactions of (S)-N-trifluoroacetyl-5-bromo-4-oxonorvaline methyl ester with vicinal mercaptonitriles. Synthesis of δ-hetaryl-substituted α-amino acids
  作者：A. E. Fedorov、A. M. Shestopalov、P. A. Belyakov

  DOI：10.1023/b:rucb.0000009653.64403.cc

  日期：2003.9

  The reactions of (S)-N-trifluoroacetyl-5-bromo-4-oxonorvaline methyl ester with vicinal mercaptonitriles afforded delta-hetaryl-N-trifluoroacetyl-substituted alpha-amino acids (hetaryl is thiazol-2-yl, 2-thienyl, or thieno[2,3-b]pyridin-6-yl).