N-[(S)-3-Methyl-1-(3-phenyl-[1,2,4]oxadiazol-5-yl)-butyl]-acetamide | 651032-72-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-[(S)-3-Methyl-1-(3-phenyl-[1,2,4]oxadiazol-5-yl)-butyl]-acetamide
• 英文别名: N-[(1S)-3-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butyl]acetamide
• CAS: 651032-72-3
• 化学式: C₁₅H₁₉N₃O₂
• 分子量: 273.335
• InChiKey: NIYOSZUZUHGWDJ-ZDUSSCGKSA-N

物化性质

• 密度：
  1.109±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 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：

  苯甲酰胺肟 、 N-乙酰-L-亮氨酸 在 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.03h， 生成 N-[(S)-3-Methyl-1-(3-phenyl-[1,2,4]oxadiazol-5-yl)-butyl]-acetamide
  参考文献：
  名称：

  The accelerated development of an optimized synthesis of 1,2,4-oxadiazoles: application of microwave irradiation and statistical design of experiments

  摘要：

  Herein, we report the development of an optimized microwave-assisted synthesis of 1,2,4-oxadiazoles. The chemistry development process was significantly accelerated by employing a statistical software package (MODDE 6.0(TM)) to guide in the optimization of the reaction conditions. The resulting optimized reaction conditions were then utilized in the synthesis of a focused library of 1,2,4-oxadiazoles. (C) 2003 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2003.10.055

文献信息

• The accelerated development of an optimized synthesis of 1,2,4-oxadiazoles: application of microwave irradiation and statistical design of experiments
  作者：Marc D Evans、Jessica Ring、Adam Schoen、Andrew Bell、Paul Edwards、Didier Berthelot、Robb Nicewonger、Carmen M Baldino

  DOI：10.1016/j.tetlet.2003.10.055

  日期：2003.12

  Herein, we report the development of an optimized microwave-assisted synthesis of 1,2,4-oxadiazoles. The chemistry development process was significantly accelerated by employing a statistical software package (MODDE 6.0(TM)) to guide in the optimization of the reaction conditions. The resulting optimized reaction conditions were then utilized in the synthesis of a focused library of 1,2,4-oxadiazoles. (C) 2003 Published by Elsevier Ltd.