3-(3-Mercapto-5-phenyl-[1,2,4]triazol-4-yl)-propan-1-ol | 664308-50-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(3-Mercapto-5-phenyl-[1,2,4]triazol-4-yl)-propan-1-ol
• 英文别名: 3-(3-phenyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)-1-propanol；4-(3-hydroxypropyl)-3-phenyl-1H-1,2,4-triazole-5-thione
• CAS: 664308-50-3
• 化学式: C₁₁H₁₃N₃OS
• 分子量: 235.31
• InChiKey: DUAIEIANMPZQLI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 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：

  3-(3-Mercapto-5-phenyl-[1,2,4]triazol-4-yl)-propan-1-ol 在 PPA 作用下， 反应 2.0h， 以46%的产率得到3-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]thiazine
  参考文献：
  名称：

  Synthesis and Tuberculostatic Activity of 1,3-Thiazacycloalkyl[3,2-b]-1,2,4-triazoles

  摘要：

  The 4-hydroxyalkyl-1,2,4-triazole-3-thiones cyclization allowed its to work out the effective method of 1,3-thiazacycloalkyl[3,2-b]-1,2,4-triazoles synthesis. Some of the compounds that were obtained were tested for their tuberculostatic activity.

  DOI：

  10.1080/104265090968244
• 作为产物：
  描述：

  苯甲酰肼 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 反应 3.0h， 生成 3-(3-Mercapto-5-phenyl-[1,2,4]triazol-4-yl)-propan-1-ol
  参考文献：
  名称：

  New Method of 4,5-Disubstituted 1,2,4-triazolo-3-thiones Synthesis

  摘要：

  A universal method of 4,5-disubstituted S-triazolo-3-thiones synthesis from methyl esters of arylothiocarbazoic acids and some primary amines is presented.

  DOI：

  10.1080/104265090508217

文献信息

• New Method of 4,5-Disubstituted 1,2,4-triazolo-3-thiones Synthesis
  作者：Henryk Foks、Barbara Milczarska

  DOI：10.1080/104265090508217

  日期：2005.1.1

  A universal method of 4,5-disubstituted S-triazolo-3-thiones synthesis from methyl esters of arylothiocarbazoic acids and some primary amines is presented.
• Synthesis and Tuberculostatic Activity of 1,3-Thiazacycloalkyl[3,2-b]-1,2,4-triazoles
  作者：Barbara Milczarska、Henryk Foks、Urszula Dobrzycka、Zofia Zwolska、Ewa Augustynowicz-Kopeć

  DOI：10.1080/104265090968244

  日期：2005.12

  The 4-hydroxyalkyl-1,2,4-triazole-3-thiones cyclization allowed its to work out the effective method of 1,3-thiazacycloalkyl[3,2-b]-1,2,4-triazoles synthesis. Some of the compounds that were obtained were tested for their tuberculostatic activity.