(E)-4-(benzylideneamino)-3-(4-hydroxyphenyl)-1H-1,2,4-triazole-5(4H)-thione | 1228282-78-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (E)-4-(benzylideneamino)-3-(4-hydroxyphenyl)-1H-1,2,4-triazole-5(4H)-thione
• 英文别名: 4-[(E)-benzylideneamino]-3-(4-hydroxyphenyl)-1H-1,2,4-triazole-5-thione
• CAS: 1228282-78-7
• 化学式: C₁₅H₁₂N₄OS
• 分子量: 296.352
• InChiKey: ZQINPBREVVMRKX-MHWRWJLKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  92.3
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  苯甲醛 、 4-(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)phenol 以 乙醇 为溶剂， 反应 4.0h， 以83.2%的产率得到(E)-4-(benzylideneamino)-3-(4-hydroxyphenyl)-1H-1,2,4-triazole-5(4H)-thione
  参考文献：
  名称：

  Synthesis and Biological Activities of Some Novel Triazolothiadiazines and Schiff Bases Derived from 4-Amino-3-(4-hydroxyphenyl)-1H-1,2,4-triazole-5(4H)-thione

  摘要：

  A series of novel 4-(6-substituted-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)phenols (5a-5n) and (E)-4-substituted-3-(4-hydroxyphenyl)-1H-1,2,4-triazole-5(4H)-thiones (6a- 6h) has been synthesized in high yields. The structures of all the title compounds have been determined by elemental analysis, IR, MS, 1H NMR, and 13C NMR, and the compound 5a was investigated with X-ray crystallography (CCDC No. 666889). Most of the title compounds possessed high plant growth-regulating activities. Supplemental materials are available for this article. Go to the publisher's online edition of Phosphorus, Sulfur, and Silicon and the Related Elements to view the free supplemental file.

  DOI：

  10.1080/10426500902848393

文献信息

• Synthesis and Biological Activities of Some Novel Triazolothiadiazines and Schiff Bases Derived from 4-Amino-3-(4-hydroxyphenyl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione
  作者：Qichun Ding、Lixue Zhang、Haile Zhang

  DOI：10.1080/10426500902848393

  日期：2010.2.23

  A series of novel 4-(6-substituted-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)phenols (5a-5n) and (E)-4-substituted-3-(4-hydroxyphenyl)-1H-1,2,4-triazole-5(4H)-thiones (6a- 6h) has been synthesized in high yields. The structures of all the title compounds have been determined by elemental analysis, IR, MS, 1H NMR, and 13C NMR, and the compound 5a was investigated with X-ray crystallography (CCDC No. 666889). Most of the title compounds possessed high plant growth-regulating activities. Supplemental materials are available for this article. Go to the publisher's online edition of Phosphorus, Sulfur, and Silicon and the Related Elements to view the free supplemental file.