4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]morpholine | 1338831-77-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]morpholine
• CAS: 1338831-77-8
• 化学式: C₁₂H₁₂BrN₃O₂
• 分子量: 310.15
• InChiKey: GMABOTWKTZITTF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  51.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-[N-(4-bromobenzoyl)(thiocarbamoyl)]morpholine 在 羟胺 、 potassium carbonate 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]morpholine
  参考文献：
  名称：

  Facile synthesis of 3-aryl/alkylamino 5-aryl/alkyl 1,2,4-oxadiazoles from acylthiourea

  摘要：

  Facile and selective synthesis of 3-aryl/alkylamino 5-aryl/alkyl 1,2,4-oxadiazoles starting from N-acylthioureas has been demonstrated. The regio-selectivity is achieved by simply selecting an appropriate base used for the generation of hydroxyl amine from the corresponding hydrochloride salt. This method also avoids the use of toxic cyanogen bromide. The structure of the synthesized oxadiazoles has been resolved by tandem mass spectral studies. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.09.048

文献信息

• Facile synthesis of 3-aryl/alkylamino 5-aryl/alkyl 1,2,4-oxadiazoles from acylthiourea
  作者：Gundala Chennakrishnareddy、Hazra Debasis、Rapai Jayan、Sulur G. Manjunatha

  DOI：10.1016/j.tetlet.2011.09.048

  日期：2011.11

  Facile and selective synthesis of 3-aryl/alkylamino 5-aryl/alkyl 1,2,4-oxadiazoles starting from N-acylthioureas has been demonstrated. The regio-selectivity is achieved by simply selecting an appropriate base used for the generation of hydroxyl amine from the corresponding hydrochloride salt. This method also avoids the use of toxic cyanogen bromide. The structure of the synthesized oxadiazoles has been resolved by tandem mass spectral studies. (C) 2011 Elsevier Ltd. All rights reserved.