5,7-Dimethyl-thieno<3,4-d>pyridazin

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩哒嗪类
• 英文名称: 5,7-Dimethyl-thieno<3,4-d>pyridazin
• 英文别名: 5,7-dimethylthieno[3,4-d]pyridazine
• 化学式: C₈H₈N₂S
• 分子量: 164.231
• InChiKey: HECWKKLSJKMUFF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  54
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2,5-二甲基噻吩 在 盐酸 、 2-硝基丙烷 、 sodium 、 一水合肼 作用下， 以 甲醇 、 水 为溶剂， 生成 5,7-Dimethyl-thieno<3,4-d>pyridazin
  参考文献：
  名称：

  Synthesis and Structure of 5,7-Dimethylthieno[3,4-d]pyridazine

  摘要：

  The reaction of 2,5-dimethylthiophene-3,4-dicarboxaldehye (3) with excess hydrazine hydrate afforded the desired 5,6-fused ring thiophene derivative, 5,7-dimethylthieno[3,4-d]pyridazine (4), in high yield (82%). Pyridazine 4 was characterized spectroscopically and its structure was confirmed by X-ray crystallography. Compound 4 was observed to have an inverted, coplanar stacking arrangement in the solid state.

  DOI：

  10.3987/com-10-11940

文献信息

• Synthesis and Structure of 5,7-Dimethylthieno[3,4-d]pyridazine
  作者：Nathan C. Tice、Sarah M. Peak、Sean Parkin

  DOI：10.3987/com-10-11940

  日期：——

  The reaction of 2,5-dimethylthiophene-3,4-dicarboxaldehye (3) with excess hydrazine hydrate afforded the desired 5,6-fused ring thiophene derivative, 5,7-dimethylthieno[3,4-d]pyridazine (4), in high yield (82%). Pyridazine 4 was characterized spectroscopically and its structure was confirmed by X-ray crystallography. Compound 4 was observed to have an inverted, coplanar stacking arrangement in the solid state.