butyric acid 7-methyl-2-oxo-2,3-dihydro-thiazolo[4,5-b]pyridin-5-yl ester | 128294-13-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: butyric acid 7-methyl-2-oxo-2,3-dihydro-thiazolo[4,5-b]pyridin-5-yl ester
• 英文别名: Butanoic acid,2,3-dihydro-7-methyl-2-oxothiazolo[4,5-b]pyridin-5-yl ester；(7-methyl-2-oxo-3H-[1,3]thiazolo[4,5-b]pyridin-5-yl) butanoate
• CAS: 128294-13-3
• 化学式: C₁₁H₁₂N₂O₃S
• 分子量: 252.294
• InChiKey: KVPLENPWSDXSSA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  93.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  5-hydroxy-7-methyl-2,3-dihydrothiazo<4,5-b>pyridin-2-one 、 丁酰氯 在 吡啶 作用下， 以56%的产率得到butyric acid 7-methyl-2-oxo-2,3-dihydro-thiazolo[4,5-b]pyridin-5-yl ester
  参考文献：
  名称：

  4-亚氨基噻唑烷酮-2与乙酰乙酸酯的反应

  摘要：

  DOI：

  10.1007/bf00481527

文献信息

• ynthesis, Anti-Inflammatory and Antioxidant Activities of Novel 3H-Thiazolo[4,5-b]Pyridines
  作者：Taras I. Chaban、Volodymyr V. Ogurtsov、Vasyl S. Matiychuk、Ihor G. Chaban、Inna L. Demchuk、Ihor A. Nektegayev

  DOI：10.17344/acsi.2018.4570

  日期：——

  5-Hydroxy-7-methyl-3H-thiazolo [4,5-b]pyridin-2-one was obtained by the reaction of 4-iminothiazolidin-2-one with acetoacetic ester. Further structural modifications include the introduction of diversity at the C-5 and C-6 positions. The anti-inflammatory action of novel thiazolo[4,5-b]pyridine-2-one derivatives was evaluated in vivo employing the carrageenan-induced rat paw edema method. The antioxidant activity of the synthesized compounds was evaluated in vitro by the method of scavenging effect on 2,2-diphenyl-1-picrylhydrazyl (DPPH) radicals.
• Reaction of 4-iminothiazolidinone-2 with acetoacetic ester
  作者：I. D. Komaritsa

  DOI：10.1007/bf00481527

  日期：1989.11