N-<5-(4-Chlorophemyl)-1,3,4-oxadiazol-2-yl>-4-chlorobenzamide

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-<5-(4-Chlorophemyl)-1,3,4-oxadiazol-2-yl>-4-chlorobenzamide
• 英文别名: 4-chloro-N-(5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl)benzamide；4-chloro-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
• 化学式: C₁₅H₉Cl₂N₃O₂
• 分子量: 334.161
• InChiKey: POUNJAWBJBMOQB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  68
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-氨基-5-(4-氯苯基)-1,3,4-噁二唑 在 2,2,2-三氟乙醇 、 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以38%的产率得到N-<5-(4-Chlorophemyl)-1,3,4-oxadiazol-2-yl>-4-chlorobenzamide
  参考文献：
  名称：

  Syntheses and characterization of 2-amino-5-aryl-1,3,4-oxadiazoles containing trifluoroethoxy groups

  摘要：

  In order to develop an effective synthetic route to 2-amino-5-aryl-1,3,4-oxadiazoles containing trifluoroethoxy groups, a novel intermediate 2-amino-5-[4-(2',2',2'-trifluoroethoxy)-phenyl]-1,3,4-oxadiazole was prepared and its structure was confirmed by mass spectrometry and (HNMR)-H-1 spectroscopy. The chlorine atom was not substituted by trifluoroethoxy groups, when syntheses of the intermediate by direct trifluoroethoxylation of 2-amino-5-(4-chlorophenyl)-1,3,4-oxadiazole was tried. The resulting product was characterized as N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-chlorobenzamide. A possible reaction mechanism is suggested. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-1139(98)00269-3

文献信息

• Syntheses and characterization of 2-amino-5-aryl-1,3,4-oxadiazoles containing trifluoroethoxy groups
  作者：Rong Zhang、Xuhong Qian、Zhong Li

  DOI：10.1016/s0022-1139(98)00269-3

  日期：1999.1

  In order to develop an effective synthetic route to 2-amino-5-aryl-1,3,4-oxadiazoles containing trifluoroethoxy groups, a novel intermediate 2-amino-5-[4-(2',2',2'-trifluoroethoxy)-phenyl]-1,3,4-oxadiazole was prepared and its structure was confirmed by mass spectrometry and (HNMR)-H-1 spectroscopy. The chlorine atom was not substituted by trifluoroethoxy groups, when syntheses of the intermediate by direct trifluoroethoxylation of 2-amino-5-(4-chlorophenyl)-1,3,4-oxadiazole was tried. The resulting product was characterized as N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-chlorobenzamide. A possible reaction mechanism is suggested. (C) 1999 Elsevier Science S.A. All rights reserved.