1-phenyl-1,4,6,7-tetrahydro-2H-thiopyrano[4,3-c]pyrazol-3-one | 62673-89-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-phenyl-1,4,6,7-tetrahydro-2H-thiopyrano[4,3-c]pyrazol-3-one
• 英文别名: 1-Phenyl-2,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one；1-phenyl-2,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one
• CAS: 62673-89-6
• 化学式: C₁₂H₁₂N₂OS
• 分子量: 232.306
• InChiKey: KIVUIBNABOWIEY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  57.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  四氢-4-氧代-2H-噻喃-3-甲酸甲酯 、 苯肼 以 甲醇 为溶剂， 生成 1-phenyl-1,4,6,7-tetrahydro-2H-thiopyrano[4,3-c]pyrazol-3-one
  参考文献：
  名称：

  Synthesis and biological activity of some derivatives of thiochroman-4-one and tetrahydrothiapyran-4-one

  摘要：

  A small series of pyrazoles and isoxazoles derived from thiochroman-4-one has been synthesized and characterized. The compounds were examined for their in vitro inhibitory activity against Bacillus subtilis and Pseudomonas fluorescens. Among the tested compounds the pyrazole derivative from thiochroman-4-one was found to be the most effective inhibitor of growth of B. subtilis. Extensive H NMR analysis was recorded for all compounds.

  DOI：

  10.1021/jm00216a024

文献信息

• Synthesis and biological activity of some derivatives of thiochroman-4-one and tetrahydrothiapyran-4-one
  作者：K. Ramalingam、George X. Thyvelikakath、K. Darrell Berlin、Robert W. Chesnut、Rebecca A. Brown、Norman N. Durham、Steven E. Ealick、Dick Van der Helm

  DOI：10.1021/jm00216a024

  日期：1977.6

  A small series of pyrazoles and isoxazoles derived from thiochroman-4-one has been synthesized and characterized. The compounds were examined for their in vitro inhibitory activity against Bacillus subtilis and Pseudomonas fluorescens. Among the tested compounds the pyrazole derivative from thiochroman-4-one was found to be the most effective inhibitor of growth of B. subtilis. Extensive H NMR analysis was recorded for all compounds.