2-Methyl-4-(2-bromobenzylidene)-2-oxazoline-5-one

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-Methyl-4-(2-bromobenzylidene)-2-oxazoline-5-one
• 英文别名: (4E)-4-[(2-bromophenyl)methylidene]-2-methyl-1,3-oxazol-5-one
• 化学式: C₁₁H₈BrNO₂
• 分子量: 266.094
• InChiKey: AATYJMATKNPXPT-UXBLZVDNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  38.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  (Z)-4-(2-bromobenzylidene)-2-methyloxazol-5(4H)-one 以 乙腈 为溶剂， 以60%的产率得到2-Methyl-4-(2-bromobenzylidene)-2-oxazoline-5-one
  参考文献：
  名称：

  Benzylidene–oxazolones as photoswitches: photochemistry and theoretical calculations

  摘要：

  The photophysics and photochemistry of a family of compounds proposed as efficient molecular photoswitches is presented. The effect of different light sources, substituents and solvents in the photostationary state has been explored. A detailed mechanistic description is also discussed. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.09.009

文献信息

• Benzylidene–oxazolones as photoswitches: photochemistry and theoretical calculations
  作者：Ignacio Funes-Ardoiz、Marina Blanco-Lomas、Pedro J. Campos、Diego Sampedro

  DOI：10.1016/j.tet.2013.09.009

  日期：2013.11

  The photophysics and photochemistry of a family of compounds proposed as efficient molecular photoswitches is presented. The effect of different light sources, substituents and solvents in the photostationary state has been explored. A detailed mechanistic description is also discussed. (C) 2013 Elsevier Ltd. All rights reserved.