3-[1-(3-chlorophenyl)-3,5-dimethyl-1H-pyrazol-4-ylthio]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine | 1361143-45-4

• 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-[1-(3-chlorophenyl)-3,5-dimethyl-1H-pyrazol-4-ylthio]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine
• 英文别名: 5-[1-(3-Chlorophenyl)-3,5-dimethylpyrazol-4-yl]sulfanyl-12-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,10-pentaene
• CAS: 1361143-45-4
• 化学式: C₁₈H₁₃ClN₆S₂
• 分子量: 412.926
• InChiKey: ONUKAHYMYMTPRU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  114
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine-3(2H)-thione 、 3-氯-2,4-戊二酮 、 间氯苯肼 在 potassium hydroxide 作用下， 以 乙醇 为溶剂， 反应 8.0h， 以55%的产率得到3-[1-(3-chlorophenyl)-3,5-dimethyl-1H-pyrazol-4-ylthio]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine
  参考文献：
  名称：

  A Facile One-Pot Synthesis of Sulfur-Linked Thieno[1,2,4]triazolo[4,3-c]pyrimidine Derivatives Containing Phenylpyrazole or Thienopyrimidinylpyrazole Moiety

  摘要：

  A facile synthesis of sulfur-linked thieno[1,2,4]triazolo[4,3-c]pyrimidine derivatives containing phenylpyrazole or thienopyrimidinylpyrazole moiety via a one-pot reaction of thieno[1,2,4]triazolo[4,3-c]pyrimidine-3(2H)-thiones, 3-chloropentane-2,4-dione and various hydrazines in the presence of potassium hydroxide in ethanol has been achieved.

  DOI：

  10.3987/com-11-12371

文献信息

• A Facile One-Pot Synthesis of Sulfur-Linked Thieno[1,2,4]triazolo[4,3-c]pyrimidine Derivatives Containing Phenylpyrazole or Thienopyrimidinylpyrazole Moiety
  作者：Yang-Heon Song、Jina Whang

  DOI：10.3987/com-11-12371

  日期：——

  A facile synthesis of sulfur-linked thieno[1,2,4]triazolo[4,3-c]pyrimidine derivatives containing phenylpyrazole or thienopyrimidinylpyrazole moiety via a one-pot reaction of thieno[1,2,4]triazolo[4,3-c]pyrimidine-3(2H)-thiones, 3-chloropentane-2,4-dione and various hydrazines in the presence of potassium hydroxide in ethanol has been achieved.