2-bromo-3-(but-2-yn-1-yl)-5-methyl-3,5-dihydro-4H-imidazo[4,5-d]pyridazin-4-one | 1018950-90-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2-bromo-3-(but-2-yn-1-yl)-5-methyl-3,5-dihydro-4H-imidazo[4,5-d]pyridazin-4-one
• CAS: 1018950-90-7
• 化学式: C₁₀H₉BrN₄O
• 分子量: 281.112
• InChiKey: YTISDJVIVGOCPI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.92
• 重原子数：
  16.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  52.71
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  2-bromo-3-(2-butyn-1-yl)-3,5-dihydro-imidazo[4,5-d]pyridazin-4-one 、 alkaline earth salt of/the/ methylsulfuric acid 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以90%的产率得到2-bromo-3-(but-2-yn-1-yl)-5-methyl-3,5-dihydro-4H-imidazo[4,5-d]pyridazin-4-one
  参考文献：
  名称：

  Synthesis of 2-bromo-7-methyl-3,5-dihydro-imidazo[4,5-d]pyridazin-4-one and 3-alkyl-2-bromo-3,5-dihydro-imidazo[4,5-d]pyridazin-4-one and their selective elaboration

  摘要：

  Two synthetic routes to the versatile 3,5-dihydro-imidazo[4,5-d]pyridazin-4-ones 2 and 5 have been developed that allow the production of multigram quantities without the need of any chromatographic purification. Broad and selective elaboration of the heteroaromatic scaffolds has also been accomplished. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.01.102