N-苄基-1-(5-(4-氟苯基)-1,3,4-恶二唑-2-基)-N-甲基-1-苯基甲胺 | 1228242-97-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N-苄基-1-(5-(4-氟苯基)-1,3,4-恶二唑-2-基)-N-甲基-1-苯基甲胺
• 英文名称: N-benzyl-1-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)-N-methyl-1-phenylmethanamine
• 英文别名: N-benzyl-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine
• CAS: 1228242-97-4
• 化学式: C₂₃H₂₀FN₃O
• 分子量: 373.43
• InChiKey: HRSVRGMHPRNGHX-UHFFFAOYSA-N

物化性质

• 沸点：
  492.0±55.0 °C(Predicted)
• 密度：
  1.207±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  42.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  对氟苯甲酸 、 苯甲醛 、 (异氰亚氨基)三苯基膦 、 N-甲基苄胺 以 二氯甲烷 为溶剂， 反应 2.25h， 以90%的产率得到N-苄基-1-(5-(4-氟苯基)-1,3,4-恶二唑-2-基)-N-甲基-1-苯基甲胺
  参考文献：
  名称：

  Novel One-Pot, Four-Component Condensation Reaction: An Efficient Approach for the Synthesis of 2,5-Disubstituted 1,3,4-Oxadiazole Derivatives by a Ugi-4CR/aza-Wittig Sequence

  摘要：

  A novel and efficient method has been developed for the synthesis of 2,5-disubstituted 1,3,4-oxadiazole derivatives using (N-isocyanimino)triphenylphosphorane, a secondary amine, a carboxylic acid, and an aromatic aldehyde in CH2Cl2 at ambient temperature in high yields without using any catalyst or activation. The procedure provides an alternative method to the synthesis of fully substituted 1,3,4-oxadiazole derivatives.

  DOI：

  10.1021/ol100931q

文献信息

• Novel One-Pot, Four-Component Condensation Reaction: An Efficient Approach for the Synthesis of 2,5-Disubstituted 1,3,4-Oxadiazole Derivatives by a Ugi-4CR/<i>aza</i>-Wittig Sequence
  作者：Ali Ramazani、Aram Rezaei

  DOI：10.1021/ol100931q

  日期：2010.6.18

  A novel and efficient method has been developed for the synthesis of 2,5-disubstituted 1,3,4-oxadiazole derivatives using (N-isocyanimino)triphenylphosphorane, a secondary amine, a carboxylic acid, and an aromatic aldehyde in CH2Cl2 at ambient temperature in high yields without using any catalyst or activation. The procedure provides an alternative method to the synthesis of fully substituted 1,3,4-oxadiazole derivatives.