5,7-dimethyl-3H-thiazolo[4,5-b]pyridin-2-One | 1369320-99-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 5,7-dimethyl-3H-thiazolo[4,5-b]pyridin-2-One
• 英文别名: 5,7-Dimethyl-3h-thiazolo[4,5-b]-pyridin-2-one；5,7-dimethyl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one
• CAS: 1369320-99-9
• 化学式: C₈H₈N₂OS
• 分子量: 180.23
• InChiKey: XZWVYSLUYZGMBY-UHFFFAOYSA-N

物化性质

• 密度：
  1.322±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  67.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5,7-dimethyl-3H-thiazolo[4,5-b]pyridin-2-One 在 potassium hydroxide 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 0.33h， 生成 2-(5,7-dimethyl-2-oxothiazolo[4,5-b]pyridin-3-yl)-N-p-tolylacetamide
  参考文献：
  名称：

  Reaction of 4-iminothiazolidin-2-one with acetylacetone

  摘要：

  By the reaction of acetylacetone and arylazoacetylacetones with 4-iminothiazolidin-2-one thiazolo[4,5-b]pyridines were obtained in good yields. Optimum reaction conditions were chosen and some properties of compounds obtained were studied.

  DOI：

  10.1134/s1070428012020170
• 作为产物：
  描述：

  4-氨基-1,3-噻唑-2(5H)-酮 、 乙酰丙酮 在 sodium 作用下， 以 甲醇 为溶剂， 反应 120.0h， 以74%的产率得到5,7-dimethyl-3H-thiazolo[4,5-b]pyridin-2-One
  参考文献：
  名称：

  Synthesis and Antioxidant Activity Evaluation of Novel 5,7-dimethyl-3H-Thiazolo[4,5-B]Pyridines

  摘要：

  5,7-Dimethyl-3H-thiazolo[4,5-b]pyridine-2-one was obtained under the reaction of 4-iminothiazolidin-2-one with acetylacetone. Further structural modifications include the introduction of diversity at the N-3 and C-6 positions. 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. [Supplemental materials are available for this article. Go to the publisher's online edition of Phosphorus, Sulfur, and Silicon and the Related Elements to view the following free supplemental files: Additional figures]

  DOI：

  10.1080/10426507.2013.777723