2'-(benzylideneamino)acetophenone oxime | 1239313-33-7

• 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: 2'-(benzylideneamino)acetophenone oxime
• CAS: 1239313-33-7
• 化学式: C₁₅H₁₄N₂O
• 分子量: 238.289
• InChiKey: KTTVPXJLJITMPJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.64
• 重原子数：
  18.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  44.95
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2'-(benzylideneamino)acetophenone oxime 以 乙腈 为溶剂， 反应 3.0h， 以98%的产率得到4-甲基-2-苯基喹唑啉
  参考文献：
  名称：

  An efficient synthesis of quinazolines: a theoretical and experimental study on the photochemistry of oxime derivatives

  摘要：

  A new photochemical method for the preparation of quinazolines (2) through irradiation of [2-(methyleneamino)phenyl]methanone oximes (1) is reported. The photoreaction has been studied in depth by experimental, theoretical and photochemical methods. A six-electron electrocyclic ring closure mechanism, followed by water loss, is proposed and rationalized to explain the formation of quinazolines (2). (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.04.082
• 作为产物：
  描述：

  1-(2-氨基苯基)-1-乙酮肟 、 苯甲醛 生成 2'-(benzylideneamino)acetophenone oxime
  参考文献：
  名称：

  An efficient synthesis of quinazolines: a theoretical and experimental study on the photochemistry of oxime derivatives

  摘要：

  A new photochemical method for the preparation of quinazolines (2) through irradiation of [2-(methyleneamino)phenyl]methanone oximes (1) is reported. The photoreaction has been studied in depth by experimental, theoretical and photochemical methods. A six-electron electrocyclic ring closure mechanism, followed by water loss, is proposed and rationalized to explain the formation of quinazolines (2). (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.04.082