potassium 6-chloro-2-methyl-8-(morpholinomethyl)imidazo[1,2-b]pyridazine-3-carboxylate | 1422006-67-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: potassium 6-chloro-2-methyl-8-(morpholinomethyl)imidazo[1,2-b]pyridazine-3-carboxylate
• CAS: 1422006-67-4
• 化学式: C₁₃H₁₄ClN₄O₃*K
• 分子量: 348.83
• InChiKey: FYFLGCOSXBFDBR-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -3.11
• 重原子数：
  22.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  82.79
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  ethyl 6-chloro-2-methyl-8-(morpholinomethyl)imidazo[1,2-b]pyridazine-3-carboxylate 在 potassium hydroxide 作用下， 以 异丙醇 为溶剂， 反应 0.5h， 以86%的产率得到potassium 6-chloro-2-methyl-8-(morpholinomethyl)imidazo[1,2-b]pyridazine-3-carboxylate
  参考文献：
  名称：

  Development of an Alternate Synthesis for a Key JAK2 Inhibitor Intermediate via Sequential C–H Bond Functionalization

  摘要：

  The development of an alternative synthetic route to a functionalized imidazopyridazine which strategically streamlines the synthesis and avoids a number of problematic reagents is described. Key to the success of this alternative route is the use of two C-H functionalization reactions: a Pd-catalyzed direct benzylation reaction to functionalize a C-H bond with a substituted benzyl group and a V-catalyzed NMO addition reaction to install a benzylic morpholine moiety.

  DOI：

  10.1021/op300344m