3-phenyl-1H,5H-bis([1,2,4]triazolo)[4,3-c:3',4'-f]pyrimidine-5-thione | 1095704-84-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-phenyl-1H,5H-bis([1,2,4]triazolo)[4,3-c:3',4'-f]pyrimidine-5-thione
• CAS: 1095704-84-9
• 化学式: C₁₂H₈N₆S
• 分子量: 268.302
• InChiKey: CETUNERTZFTCTR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  19.0
• 可旋转键数：
  1.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  63.28
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  苯甲酰肼 、 4,6-二氨基-2-巰基嘧啶 反应 18.0h， 以43%的产率得到3-phenyl-1H,5H-bis([1,2,4]triazolo)[4,3-c:3',4'-f]pyrimidine-5-thione
  参考文献：
  名称：

  Some Reactions of 4,6-Diaminopyrimidinethione

  摘要：

  Reaction of 4,6-diamino-2(1H)-pyrimidinethione (1) with p-toluene-sulfonyl hydrazine, nitrous acid and carbon disulfide afforded the compounds (2, 3) and (4) respectively. Compound (3) easily reacted with anthranilic acid, semicarbazide thiosemicarbazide and acid hydrazides and gave the polynuclearheterocyclic compounds (5, 6(a,b)) and (8(a,b)) respectively. Also, compound (4) yielded the tricyclic compound 7 when reacted with ethylchloroformate. The purpose of this article is synthesis of biologically active polynuclear heterocyclic compounds.

  DOI：

  10.1080/10426500701556981