4-ethyl-3-(4-hydroxyphenyl)-1H-1,2,4-triazole-5(4H)-thione | 26028-81-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-ethyl-3-(4-hydroxyphenyl)-1H-1,2,4-triazole-5(4H)-thione
• 英文别名: 5-(4-hydroxyphenyl)-4-ethyl-2,4-dihydro-[1,2,4]triazol-3-thione；4-ethyl-(4-hydroxy-phenyl)-2,4-dihydro-[1,2,4]triazole-3-thione；4-ethyl-3-(4-hydroxyphenyl)-1H-1,2,4-triazole-5-thione
• CAS: 26028-81-9
• 化学式: C₁₀H₁₁N₃OS
• 分子量: 221.283
• InChiKey: NQQIDSKODDRIGW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  80
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-ethyl-3-(4-hydroxyphenyl)-1H-1,2,4-triazole-5(4H)-thione 、 聚合甲醛 、 1-胡椒基哌嗪 以 甲醇 、 水 为溶剂， 反应 1.0h， 以54%的产率得到2-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-ylmethyl)-4-ethyl-5-(4-hydroxy-phenyl)-2,4-dihydro-[1,2,4]triazole-3-thione
  参考文献：
  名称：

  Synthesis and Tuberculostatic Activity of Some 2-Piperazinmethylene Derivatives 1,2,4-Triazole-3-Thiones

  摘要：

  The Mannich. reaction's products of 1,2,4-triazole-3-thiones, substituted in position 4 (with ethyl, allyl, phenyl, Ph-4-Br) or 5 (with phenyl, Ph-4-OH, Ph-3,4,5-(OMe)(3), 2-phenyl) were obtained. Their amino-components were 1-phenylpiperazine, 1-(4-fluorophenyl)-piperazine, 1-benzylpiperazine, 1-(2-pyridyl)-piperazine and 1-piperonyl-piperazine. Tuberculostatic activity of the compounds obtained was tested in vitro and their MIC values within 25-100 mcg/mL.

  DOI：

  10.1080/104265090517280
• 作为产物：
  描述：

  4-羟基苯甲酰肼 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 2.5h， 生成 4-ethyl-3-(4-hydroxyphenyl)-1H-1,2,4-triazole-5(4H)-thione
  参考文献：
  名称：

  Synthesis and Tuberculostatic Activity of Some 2-Piperazinmethylene Derivatives 1,2,4-Triazole-3-Thiones

  摘要：

  The Mannich. reaction's products of 1,2,4-triazole-3-thiones, substituted in position 4 (with ethyl, allyl, phenyl, Ph-4-Br) or 5 (with phenyl, Ph-4-OH, Ph-3,4,5-(OMe)(3), 2-phenyl) were obtained. Their amino-components were 1-phenylpiperazine, 1-(4-fluorophenyl)-piperazine, 1-benzylpiperazine, 1-(2-pyridyl)-piperazine and 1-piperonyl-piperazine. Tuberculostatic activity of the compounds obtained was tested in vitro and their MIC values within 25-100 mcg/mL.

  DOI：

  10.1080/104265090517280

文献信息

• Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists
  申请人：Edwards Louise

  公开号：US20050272779A1

  公开（公告）日：2005-12-08

  The present invention relates to new compounds of formula I, to pharmaceutical formulations containing the compounds, and to the use of the compounds in the prevention and/or treatment of mGluR5 receptor-mediated disorders.

  本发明涉及公式I的新化合物，包含该化合物的药物配方，以及利用该化合物预防和/或治疗mGluR5受体介导的疾病的用途。
• Compounds
  申请人：Arora Jalaj

  公开号：US20060122397A1

  公开（公告）日：2006-06-08

  The present invention relates to new compounds of formula I, a process for their preparation and new intermediates prepared therein, pharmaceutical formulations containing said compounds and to the use of said compounds in therapy.

  本发明涉及化合物I的新化合物，其制备过程和其中制备的新中间体，含有该化合物的制药配方以及在治疗中使用该化合物的用途。
• ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS
  申请人：Edwards Louise

  公开号：US20080045571A1

  公开（公告）日：2008-02-21

  The present invention relates to new compounds of formula I, to pharmaceutical formulations containing the compounds, and to the use of the compounds in the prevention and/or treatment of mGluR5 receptor-mediated disorders.

  本发明涉及公式I的新化合物，包括含有该化合物的制药配方，以及该化合物在预防和/或治疗mGluR5受体介导的疾病中的使用。
• Synthesis and structure of new 1,2,4-triazoles derived from p-hydroxybenzoic acid hydrazide
  作者：O. A. Nurkenov、S. D. Fazylov、Zh. B. Satpaeva、K. M. Turdybekov、G. Zh. Karipova、A. Zh. Isaeva、S. A. Talipov、B. T. Ibragimov

  DOI：10.1134/s1070363215010107

  日期：2015.1

  Hydrolysis of thiosemicarbazides obtained by reacting p-hydroxybenzoic acid hydrazide with alkyl isocyanates occurs via intramolecular heterocyclization affording substituted 4-3-(4-hydroxyphenyl)-1H-1,2,4-triazole-5(4H)-thiones in a high yield.
• NEW COMPOUNDS
  申请人：Astra Zeneca AB

  公开号：EP1529045A2

  公开（公告）日：2005-05-11