2-oxo-2H-thiopyrano[2,3-d][1,3]thiazole-6-carboxylic acid | 1018166-38-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-oxo-2H-thiopyrano[2,3-d][1,3]thiazole-6-carboxylic acid
• 英文别名: 2-Oxothiopyrano[2,3-d][1,3]thiazole-6-carboxylic acid
• CAS: 1018166-38-5
• 化学式: C₇H₃NO₃S₂
• 分子量: 213.238
• InChiKey: QDYOEWYYCLSYMF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  117
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  5-ethoxymethylene-4-thioxothiazolidin-2-one 、 丙炔酸 在 对苯二酚 作用下， 以 溶剂黄146 为溶剂， 反应 1.0h， 生成 2-oxo-2H-thiopyrano[2,3-d][1,3]thiazole-6-carboxylic acid
  参考文献：
  名称：

  5-Ethoxymethylidene-4-thioxo-2-thiazolidinone as Versatile Building Block for Novel Biorelevant Small Molecules with Thiopyrano[2,3-d][1,3]thiazole Core

  摘要：

  5-Ethoxymethylidene-4-thioxo-2-thiazolidinone was studied as versatile core building block in the synthesis of new thiopyrano[2,3-d]thiazole derivatives relevant for medicinal chemistry purposes under hetero-Diels-Alder reaction conditions. Promising compounds (6, 10) were identified among synthesized series with high antitumor and moderate antiviral activity. [Supplementary materials are available for this article. Go to the publisher's online edition of Synthetic Communications (R) for the following free supplemental resource(s): Full experimental and spectral details.]

  DOI：

  10.1080/00397911.2013.800552