2-(3-methyl-1,2,4-oxadiazol-5-yl)quinoline | 1430731-76-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 2-(3-methyl-1,2,4-oxadiazol-5-yl)quinoline
• 英文别名: 3-Methyl-5-quinolin-2-yl-1,2,4-oxadiazole；3-methyl-5-quinolin-2-yl-1,2,4-oxadiazole
• CAS: 1430731-76-2
• 化学式: C₁₂H₉N₃O
• 分子量: 211.223
• InChiKey: LKNPRKKMPUTEBN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-(三溴甲基)喹啉 、 N-羟基乙脒 在 N-甲基吡咯烷酮 、 potassium carbonate 作用下， 反应 3.0h， 以32%的产率得到2-(3-methyl-1,2,4-oxadiazol-5-yl)quinoline
  参考文献：
  名称：

  Novel Method of Synthesizing Various Five Membered Heterocycles from an Aryl Tribromomethyl Group

  摘要：

  Synthesis of five membered heterocycles from an aryl tribromomethyl functional group is discussed. Exposing a tribromomethyl group to subsequent nucleophilic attacks by a 1,2-di-nucleophilic species promotes the cyclization of five membered heterocycles. Such heterocycles as oxadiazoles, thiadiazole, benzimidazole, benzothioazole, and benzoxazole were synthesized in moderate to good yields. Supplemental materials are available for this article. Go to the publisher's online edition of Synthetic Communications (R) to view the free supplemental file.

  DOI：

  10.1080/00397911.2012.679331

文献信息

• Novel Method of Synthesizing Various Five Membered Heterocycles from an Aryl Tribromomethyl Group
  作者：Robert Tynebor、Elizabeth Millings

  DOI：10.1080/00397911.2012.679331

  日期：2013.7.18

  Synthesis of five membered heterocycles from an aryl tribromomethyl functional group is discussed. Exposing a tribromomethyl group to subsequent nucleophilic attacks by a 1,2-di-nucleophilic species promotes the cyclization of five membered heterocycles. Such heterocycles as oxadiazoles, thiadiazole, benzimidazole, benzothioazole, and benzoxazole were synthesized in moderate to good yields. Supplemental materials are available for this article. Go to the publisher's online edition of Synthetic Communications (R) to view the free supplemental file.