4,4-Dioxo-1,4-dihydro-4λ⁶-thia-1,2,3-triaza-cyclopenta[b]naphthalen-9-one | 84158-63-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻喃类
• 英文名称: 4,4-Dioxo-1,4-dihydro-4λ⁶-thia-1,2,3-triaza-cyclopenta[b]naphthalen-9-one
• 英文别名: 4,4-dioxo-2H-thiochromeno[2,3-d]triazol-9-one
• CAS: 84158-63-4
• 化学式: C₉H₅N₃O₃S
• 分子量: 235.223
• InChiKey: QNOCNVBSBSKRFK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  101
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1-(4-Methoxy-benzyl)-5-phenylsulfanyl-1H-[1,2,3]triazole-4-carboxylic acid 在 potassium permanganate 、 三氯化铝 、 草酰氯 、 溶剂黄146 、 N,N-二甲基甲酰胺 、 三氟乙酸 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 5.0h， 生成 4,4-Dioxo-1,4-dihydro-4λ⁶-thia-1,2,3-triaza-cyclopenta[b]naphthalen-9-one
  参考文献：
  名称：

  Studies on 1,2,3,-triazoles. 10. Synthesis and antiallergic properties of 9-oxo-1H,9H-benzothiopyrano[2,3-d]-1,2,3-triazoles and their S-oxides

  摘要：

  Selected derivatives of 9-oxo-1H,9H-benzothiopyrano[2,3-d]-1,2,3-triazole, a new heterocyclic ring system, and their S-oxides have been prepared and evaluated for antiallergic activity in the rat passive cutaneous anaphylaxis screen. Several of the compounds show intravenous potencies similar to or greater than that of disodium cromoglycate, the most potent being 6,7-dimethyl-9-oxo-1H,9H-benzothiopyrano[2,3-d]-1,2,3-triazole and its 4,4-dioxide.

  DOI：

  10.1021/jm00368a021

文献信息

• Studies on 1,2,3,-triazoles. 10. Synthesis and antiallergic properties of 9-oxo-1H,9H-benzothiopyrano[2,3-d]-1,2,3-triazoles and their S-oxides
  作者：Derek R. Buckle、Caroline J. M. Rockell、Harry Smith、Barbara A. Spicer

  DOI：10.1021/jm00368a021

  日期：1984.2

  Selected derivatives of 9-oxo-1H,9H-benzothiopyrano[2,3-d]-1,2,3-triazole, a new heterocyclic ring system, and their S-oxides have been prepared and evaluated for antiallergic activity in the rat passive cutaneous anaphylaxis screen. Several of the compounds show intravenous potencies similar to or greater than that of disodium cromoglycate, the most potent being 6,7-dimethyl-9-oxo-1H,9H-benzothiopyrano[2,3-d]-1,2,3-triazole and its 4,4-dioxide.