ethyl 3-hydroxy-5-oxo-2H-thiophene-4-carboxylate | 51338-36-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氢噻吩类
• 英文名称: ethyl 3-hydroxy-5-oxo-2H-thiophene-4-carboxylate
• CAS: 51338-36-4
• 化学式: C₇H₈O₄S
• 分子量: 188.204
• InChiKey: ZLGKABJUUUAOSE-UHFFFAOYSA-N

物化性质

• 沸点：
  336.1±42.0 °C(Predicted)
• 密度：
  1.504±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  88.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl 3-hydroxy-5-oxo-2H-thiophene-4-carboxylate 在 哌啶 作用下， 以 四氢呋喃 、 乙醚 、 乙醇 为溶剂， 反应 6.0h， 生成 ethyl (5Z)-5-[(2E)-2-(dimethylhydrazinylidene)ethylidene]-4-methoxy-2-oxothiophene-3-carboxylate
  参考文献：
  名称：

  Synthesis and biological activity of thiobasidalin

  摘要：

  Thiobasidalin 2, the thiolactone analogue of the antibiotic basidalin 1, is synthesized starting from easily accessible thiotetronic acid 3 via a straightforward reaction sequence employing the chemoselective lithium aluminum hydride reduction of the acid pyrazolide 31 as the final key step. Antimicrobial tests reveal that thiobasidalin 2 as well as a number of its synthetic congeners display considerable activity against both eucaryontes and procaryontes. (C) Elsevier, Paris.

  DOI：

  10.1016/s0223-5234(98)80064-0

文献信息

• AQUEOUS COMPOSITION COMPRISING A COMPOUND OF THIOLACTONE TYPE AND A SILICONE AND PROCESS FOR TREATING KERATIN MATERIALS WITH THE COMPOSITION
  申请人：L'Oreal

  公开号：US20200030215A1

  公开（公告）日：2020-01-30

  The present invention relates to a composition comprising: (a) one more compound(s) of thiolactone type, and (b) one or more silicones.
• COMPOSITION COMPRISING A COMPOUND OF THIOLACTONE TYPE AND A PARTICULAR SOLVENT AND PROCESS FOR TREATING KERATIN MATERIALS WITH THE COMPOSITION
  申请人：L'Oreal

  公开号：US20200031796A1

  公开（公告）日：2020-01-30

  The present invention relates to a composition comprising: (a) at least one compound of thiolactone type, and (b) one or more solvents, which may be identical or different, chosen from polar (non-)protic organic solvents; the pH of said composition being less than or equal to 7.
• Synthesis and biological activity of thiobasidalin
  作者：Josef E. Schachtner、Hans-Dietrich Stachel、Kurt Polborn、Timm Anke

  DOI：10.1016/s0223-5234(98)80064-0

  日期：1998.4

  Thiobasidalin 2, the thiolactone analogue of the antibiotic basidalin 1, is synthesized starting from easily accessible thiotetronic acid 3 via a straightforward reaction sequence employing the chemoselective lithium aluminum hydride reduction of the acid pyrazolide 31 as the final key step. Antimicrobial tests reveal that thiobasidalin 2 as well as a number of its synthetic congeners display considerable activity against both eucaryontes and procaryontes. (C) Elsevier, Paris.