(4-Ethyl-5-furan-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid ethyl ester | 439899-35-1

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: (4-Ethyl-5-furan-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid ethyl ester
• 英文别名: Ethyl 2-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetate；ethyl 2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate
• CAS: 439899-35-1
• 化学式: C₁₂H₁₅N₃O₃S
• 分子量: 281.335
• InChiKey: ZHCVWWXZFOGHRH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  19
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  95.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (4-Ethyl-5-furan-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid ethyl ester 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 7.0h， 生成 (4-Ethyl-5-furan-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid [1-(3-methoxy-phenyl)-meth-(E)-ylidene]-hydrazide
  参考文献：
  名称：

  Synthesis and antimicrobial activity of some 1,2,4-triazole-3-mercaptoacetic acid derivatives

  摘要：

  Ethyl 5-(2-furyl)-4-ethyl-1,2,4-triazole-3-mercaptoacetate (2), 5-(2-furyl)-4-ethyl-1,2,4-triazole-3-mercaptoacetic acid hydrazide (3) and a series of new N-alkylidene/arylidene-5-(2-furyl)-4-ethyl-1,2,4-triazole-3-mercaptoacetic acid hydrazides (4a-f) were synthesized and evaluated for in vitro antibacterial activity against Staphylococcus aureus ATCC 6538, Staphylococcus epidermidis ATCC 12228, Klebsiella pneumoniae ATCC 4352, Pseudomonas aeruginosa ATCC 1539, Escherichia coli ATCC 8739, Shigella flexneri, Salmonella typhi, Proteus mirabilis and antifungal activity against Candida albicans ATCC 10231 using the disk diffusion and microdilution methods. Compound 0 showed antibacterial activity against some bacteria. The in vitro antimycobacterial activity of the new compounds against Mycobacterium tuberculosis H(37)Rv was evaluated employing the BACTEC 460 radiometric system. The highest inhibition observed was 61% at > 6.25 mug/ml. (C) 2001 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(01)01128-4
• 作为产物：
  描述：

  溴乙酸乙酯 、 4-乙基-5-(2-呋喃基)-4H-1,2,4-噻唑-3-硫醇 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以53%的产率得到(4-Ethyl-5-furan-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid ethyl ester
  参考文献：
  名称：

  Synthesis and antimicrobial activity of some 1,2,4-triazole-3-mercaptoacetic acid derivatives

  摘要：

  Ethyl 5-(2-furyl)-4-ethyl-1,2,4-triazole-3-mercaptoacetate (2), 5-(2-furyl)-4-ethyl-1,2,4-triazole-3-mercaptoacetic acid hydrazide (3) and a series of new N-alkylidene/arylidene-5-(2-furyl)-4-ethyl-1,2,4-triazole-3-mercaptoacetic acid hydrazides (4a-f) were synthesized and evaluated for in vitro antibacterial activity against Staphylococcus aureus ATCC 6538, Staphylococcus epidermidis ATCC 12228, Klebsiella pneumoniae ATCC 4352, Pseudomonas aeruginosa ATCC 1539, Escherichia coli ATCC 8739, Shigella flexneri, Salmonella typhi, Proteus mirabilis and antifungal activity against Candida albicans ATCC 10231 using the disk diffusion and microdilution methods. Compound 0 showed antibacterial activity against some bacteria. The in vitro antimycobacterial activity of the new compounds against Mycobacterium tuberculosis H(37)Rv was evaluated employing the BACTEC 460 radiometric system. The highest inhibition observed was 61% at > 6.25 mug/ml. (C) 2001 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(01)01128-4