3-Chloro-4-p-tolyl-4H-[1,2,4]triazole | 107733-43-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-Chloro-4-p-tolyl-4H-[1,2,4]triazole
• 英文别名: 3-Chloro-4-(4-methylphenyl)-1,2,4-triazole
• CAS: 107733-43-7
• 化学式: C₉H₈ClN₃
• 分子量: 193.636
• InChiKey: IPIBOAMQOKXVEW-UHFFFAOYSA-N

物化性质

• 沸点：
  345.9±35.0 °C(Predicted)
• 密度：
  1.29±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-Chloro-4-p-tolyl-4H-[1,2,4]triazole 在 三氯化铝 作用下， 生成 7,14-dimethyldibenzo[d,g][1,2,4]triazolo[4,3-a][1,3]diazocin-9(14H)-one
  参考文献：
  名称：

  Synthesis of Dibenzo[d,g] [1,2,4] Triazolo[4, 3-a] [1,3] Diazocine-8-one and Dibenzo [d,g] [1,2,4] Triazolo [4,3-a] [1,3] Oxazocine-8-One

  摘要：

  AbstractCompounds (1)‐representatives of a new heterocyclic system were obtained by reaction of 3‐hydroxy‐,3‐chloro‐ and 3‐amino‐4‐phenyl‐1,2,4‐triazoles with iodobenzoic acid and N‐methylanthranilic acid followed by ring closure to give the parent compounds in good overall yield.

  DOI：

  10.1002/bscb.19860950212

文献信息

• Synthesis of Dibenzo[d,g] [1,2,4] Triazolo[4, 3-a] [1,3] Diazocine-8-one and Dibenzo [d,g] [1,2,4] Triazolo [4,3-a] [1,3] Oxazocine-8-One
  作者：Loay K. A. Rahman

  DOI：10.1002/bscb.19860950212

  日期：——

  AbstractCompounds (1)‐representatives of a new heterocyclic system were obtained by reaction of 3‐hydroxy‐,3‐chloro‐ and 3‐amino‐4‐phenyl‐1,2,4‐triazoles with iodobenzoic acid and N‐methylanthranilic acid followed by ring closure to give the parent compounds in good overall yield.