3-[3,5-dimethyl-1-(thieno[3,2-d]pyrimidin-4-yl)-1H-pyrazol-4-ylthio]thieno[3,2-e][1,2,4]triazolo-[4,3-c]pyrimidine | 1361143-42-1

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 3-[3,5-dimethyl-1-(thieno[3,2-d]pyrimidin-4-yl)-1H-pyrazol-4-ylthio]thieno[3,2-e][1,2,4]triazolo-[4,3-c]pyrimidine
• 英文别名: 5-(3,5-Dimethyl-1-thieno[3,2-d]pyrimidin-4-ylpyrazol-4-yl)sulfanyl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene；5-(3,5-dimethyl-1-thieno[3,2-d]pyrimidin-4-ylpyrazol-4-yl)sulfanyl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
• CAS: 1361143-42-1
• 化学式: C₁₈H₁₂N₈S₃
• 分子量: 436.545
• InChiKey: MXZVKVBZAPXGTE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  29
• 可旋转键数：
  3
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  169
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine-3(2H)-thione 、 3-氯-2,4-戊二酮 、 4-肼基噻吩并[3,2-d]嘧啶 在 potassium hydroxide 作用下， 以 乙醇 为溶剂， 反应 8.0h， 以54%的产率得到3-[3,5-dimethyl-1-(thieno[3,2-d]pyrimidin-4-yl)-1H-pyrazol-4-ylthio]thieno[3,2-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.