N-(2-chloro-1-methoxyethyl)-6-(3,5-dimethyl-1H-pyrazol-1-yl)-1,2,4,5-tetrazin-3-amine | 1231691-31-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四嗪
• 英文名称: N-(2-chloro-1-methoxyethyl)-6-(3,5-dimethyl-1H-pyrazol-1-yl)-1,2,4,5-tetrazin-3-amine
• CAS: 1231691-31-8
• 化学式: C₁₀H₁₄ClN₇O
• 分子量: 283.72
• InChiKey: UTDPBVVYNMFFGL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.69
• 重原子数：
  19.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  90.64
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  2-氯乙醛缩二甲醇 、 6-(3,5-二甲基吡唑-1-基)-1,2,4,5-四嗪-3-胺 在 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 反应 12.0h， 以13%的产率得到3-(3,5-dimethylpyazol-1-yl)imidazo[1,2-b][1,2,4,5]tetrazine
  参考文献：
  名称：

  Efficient Pallado-Catalyzed C6-(het)arylation of Imidazo[1,2-b][1,2,4,5]Tetrazines under Microwave Irradiations

  摘要：

  A versatile protocol for the preparation of a library of 5,6-(het)bisarylated imidazol[1,2,b][1,2,4,5]tetrazines is described. Target compounds were obtained in fairly good yields, starting from ethoxy-7-(4-methoxyphenyl)imidazo[1,2-b][1,2,4,5]tetrazine and a large panel of bromoaryl derivatives, using palladium catalysis under microwave irradiation. Compatibility with various chemical groups and heterocycles was proven. Steric and electronic effects do not have any effect on the efficiency of the reaction. Purifications were performed without any difficulties, and the structure of a final compound was proven by crystal X-ray diffraction studies.

  DOI：

  10.1021/cc1000456