4-amino-5H-thiophen-2-one | 210891-51-3

• 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: 4-amino-5H-thiophen-2-one
• 英文别名: 3-amino-2H-thiophen-5-one
• CAS: 210891-51-3
• 化学式: C₄H₅NOS
• mdl: MFCD19212696
• 分子量: 115.156
• InChiKey: ZAEATBXDRKDVDD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  68.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  glyoxal mono(dimethylhydrazone) 、 4-amino-5H-thiophen-2-one 在 哌啶 作用下， 以 乙醇 为溶剂， 反应 1.5h， 以10%的产率得到(5Z)-4-amino-5-[(2E)-2-(dimethylhydrazinylidene)ethylidene]thiophen-2-one
  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
• 作为产物：
  描述：

  4-Azido-5H-thiophen-2-one 在 tin(ll) chloride 作用下， 以 甲醇 为溶剂， 以97%的产率得到4-amino-5H-thiophen-2-one
  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

• 2-(1h-indol-3-yl)-2-oxo-acetamides with antitumor activity
  申请人：——

  公开号：US20030158153A1

  公开（公告）日：2003-08-21

  2-(1H-Indol-3-yl)-2-oxo-acetamides having antitumor activity, in particular against solid tumors, more precisely colon and lung tumors, of the following formula I: 1 wherein Y is an oxygen of sulfur atom and X, R 1 , R 2 , R 3 , R 4 and R 5 are as defined in claim 1.

  具有抗肿瘤活性的2-(1H-Indol-3-yl)-2-oxo-acetamides，特别是针对实体肿瘤，更准确地说是结肠和肺肿瘤，其化学式I如下：其中Y为氧或硫原子，X、R1、R2、R3、R4和R5如权利要求1所定义。
• 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.