5-(benzofuran-2-yl)-2H-1,2,4-triazole-3(4H)-thione | 902137-19-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 5-(benzofuran-2-yl)-2H-1,2,4-triazole-3(4H)-thione
• 英文别名: 5-(1-benzofuran-2-yl)-1,2-dihydro-1,2,4-triazole-3-thione
• CAS: 902137-19-3
• 化学式: C₁₀H₇N₃OS
• 分子量: 217.251
• InChiKey: XDYHWSUGOMCRRR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  81.6
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-(benzofuran-2-yl)-2H-1,2,4-triazole-3(4H)-thione 在 copper(ll) sulfate pentahydrate 、 sodium methylate 、 sodium ascorbate 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 反应 0.5h， 生成 3-(benzofuran-2-yl)-5-{[1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]methylthio}-4H-1,2,4-triazole
  参考文献：
  名称：

  Cu(I) Catalyzed 1,3-Dipolar Click Synthesis of S-Heterocyclic 1,2,3-Triazole Derivatives, Their Antibacterial Activity

  摘要：

  A novel series of 1,2,3-triazoles is synthesized by 1,3-dipolar cycloaddition of aromatic azides and terminal alkynes containing 1,2,4-triazole/1,3,4-oxadiazole in presence of Cu(I) catalyst in aqueous medium. The compounds are characterized by spectral and analytical data. The novel triazoles demonstrate moderate to excellent antibacterial activity and good docking score.

  DOI：

  10.1134/s1070363220010223

文献信息

• Compounds comprising linked heteroaryl moieties and their use as novel umami flavor modifiers, tastants and taste enhancers for comestible compositions
  申请人：Tachdjian Catherine

  公开号：US20060263411A1

  公开（公告）日：2006-11-23

  The inventions disclosed herein relate to the discovery of the use of compounds having the formula shown below and certain subgenera or species thereof, as flavor or taste modifiers, particularly, savory (“umami”) taste modifiers, savory flavoring agents and savory flavor enhancers in foods, beverages, and other comestible compositions.

  本发明涉及发现具有如下所示公式化合物的使用，以及其中某些子属或物种，作为风味或口味修饰剂，特别是，用于食品、饮料和其他可食用组合物的肉类（“鲜味”）口味修饰剂、肉类风味剂和肉类风味增强剂。
• COMPOUNDS COMPRISING LINKED HETEROARYL MOIETIES AND THEIR USE AS NOVEL UMAMI FLAVOR MODIFIERS, TASTANTS AND TASTE ENHANCERS FOR COMESTIBLE COMPOSITIONS
  申请人：TACHDJIAN Catherine

  公开号：US20130071536A1

  公开（公告）日：2013-03-21

  The inventions disclosed herein relate to the discovery of the use of compounds having the formula shown below and certain subgenera or species thereof, as flavor or taste modifiers, particularly, savory (“umami”) taste modifiers, savory flavoring agents and savory flavor enhancers in foods, beverages, and other comestible compositions.

  本发明涉及以下化学式的化合物及其某些亚属或种类的发现，作为食品、饮料和其他可食用组合物中的风味或口味调节剂，特别是咸味（"鲜味"）调节剂、咸味调味剂和咸味增强剂。
• COMPOUNDS COMPRISING LINKED HETERO ARYL MOIETIES AND THEIR USE AS NOVEL UMAMI FLAVOR MODIFIERS, TASTANTS AND TASTE ENHANCERS FOR COMESTIBLE COMPOSITIONS
  申请人：Senomyx, Inc.

  公开号：EP1850681A2

  公开（公告）日：2007-11-07
• US8784782B2
  申请人：——

  公开号：US8784782B2

  公开（公告）日：2014-07-22
• US8968708B2
  申请人：——

  公开号：US8968708B2

  公开（公告）日：2015-03-03