5,7-dimethyl-6-phenylazo-3-thiazolo[4,5-b]pyridine-2-one | 1369321-23-2

• 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-6-phenylazo-3-thiazolo[4,5-b]pyridine-2-one
• 英文别名: 5,7-dimethyl-6-phenylazo-3H-thiazolo[4,5-b]pyridin-2-one；5,7-Dimethyl-6-phenylazo-3h-thiazolo[4,5-b]-pyridin-2-one；5,7-dimethyl-6-phenyldiazenyl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one
• CAS: 1369321-23-2
• 化学式: C₁₄H₁₂N₄OS
• 分子量: 284.341
• InChiKey: DXCKYQTYXQECHF-UHFFFAOYSA-N

物化性质

• 密度：
  1.41±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  92
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5,7-dimethyl-6-phenylazo-3-thiazolo[4,5-b]pyridine-2-one 在 吡啶 、 溶剂黄146 、 三乙胺 、 锌 作用下， 以 1,4-二氧六环 、 甲醇 为溶剂， 反应 2.25h， 生成 N-(5,7-dimethyl-2-oxo-2H,3H-[1,3]thiazolo[4,5-b]pyridin-6-yl)-2-([1-(4-methylphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl)acetamide
  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
• 作为产物：
  描述：

  4-氨基-1,3-噻唑-2(5H)-酮 、 pentane-2,3,4-trione 3-phenylhydrazone 在 sodium 作用下， 以 甲醇 为溶剂， 反应 120.0h， 以86%的产率得到5,7-dimethyl-6-phenylazo-3-thiazolo[4,5-b]pyridine-2-one
  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