4-chloro-1,3-difluoro-9-methyl-dipyrido[1,2-a;3',4'-d]imidazole | 1207286-66-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并[1，2-a]吡啶
• 英文名称: 4-chloro-1,3-difluoro-9-methyl-dipyrido[1,2-a;3',4'-d]imidazole
• 英文别名: 3-Chloro-4,6-difluoro-10-methyl-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene；3-chloro-4,6-difluoro-10-methyl-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene
• CAS: 1207286-66-5
• 化学式: C₁₁H₆ClF₂N₃
• 分子量: 253.639
• InChiKey: SXZKBWKRKDLLQE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  30.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-chloro-1,3-difluoro-9-methyl-dipyrido[1,2-a;3',4'-d]imidazole 在 30% Pd/C 、 甲酸铵 作用下， 以 四氢呋喃 为溶剂， 反应 48.0h， 以50%的产率得到1,3-difluoro-9-methyl-dipyrido[1,2-a;3',4'-d]imidazole
  参考文献：
  名称：

  Dipyrido[1,2-a;3′,4′-d]imidazole systems

  摘要：

  Novel tricyclic dipyridoimidazole derivatives can be readily synthesised in one pot processes from various highly fluorinated pyridine systems such as pentafluoropyridine and relatively nucleophilic 2-aminopyridine derivatives. Further nucleophilic aromatic substitution reactions of the novel tricyclic scaffolds allow the regioselective synthesis of various nitrogen, oxygen, carbon and sulfur-functionalised dipyridoimidazole products. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.11.036
• 作为产物：
  描述：

  2-氨基-3-甲基吡啶 、 3-氯-2,4,5,6-四氟吡啶 在 碳酸氢钠 作用下， 以 乙腈 为溶剂， 反应 72.0h， 以41%的产率得到4-chloro-1,3-difluoro-9-methyl-dipyrido[1,2-a;3',4'-d]imidazole
  参考文献：
  名称：

  Dipyrido[1,2-a;3′,4′-d]imidazole systems

  摘要：

  Novel tricyclic dipyridoimidazole derivatives can be readily synthesised in one pot processes from various highly fluorinated pyridine systems such as pentafluoropyridine and relatively nucleophilic 2-aminopyridine derivatives. Further nucleophilic aromatic substitution reactions of the novel tricyclic scaffolds allow the regioselective synthesis of various nitrogen, oxygen, carbon and sulfur-functionalised dipyridoimidazole products. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.11.036

文献信息

• Dipyrido[1,2-a;3′,4′-d]imidazole systems
  作者：Matthew W. Cartwright、Laura Convery、Thomas Kraynck、Graham Sandford、Dmitrii S. Yufit、Judith A.K. Howard、John A. Christopher、David D. Miller

  DOI：10.1016/j.tet.2009.11.036

  日期：2010.1

  Novel tricyclic dipyridoimidazole derivatives can be readily synthesised in one pot processes from various highly fluorinated pyridine systems such as pentafluoropyridine and relatively nucleophilic 2-aminopyridine derivatives. Further nucleophilic aromatic substitution reactions of the novel tricyclic scaffolds allow the regioselective synthesis of various nitrogen, oxygen, carbon and sulfur-functionalised dipyridoimidazole products. (C) 2009 Elsevier Ltd. All rights reserved.