2-[Benzylidene(oxido)amino]-2-methyl-1-phenyl-1-propanone

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-[Benzylidene(oxido)amino]-2-methyl-1-phenyl-1-propanone
• 英文别名: N-(2-methyl-1-oxo-1-phenylpropan-2-yl)-1-phenylmethanimine oxide
• 化学式: C₁₇H₁₇NO₂
• 分子量: 267.327
• InChiKey: NUAANDVMJXQRAH-AQTBWJFISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  甲醇 、 2-[Benzylidene(oxido)amino]-2-methyl-1-phenyl-1-propanone 在 双氧水 作用下， 生成
  参考文献：
  名称：

  Derivatives of Dihydropyrazine-1,4-Dioxide, 3-Imidazoline 3-Oxide, and α-Phenyl Nitrones with Functional Groups as New Spin Traps in Solution and in the Gas Phase

  摘要：

  The title compounds, acyclic phenyl nitrones with functional groups, cyclic dinitrones with conjugated or isolated double bonds, and imidazoline nitrones are studied as spin traps (ST) for short-lived free radicals (R) generated photochemically in solution and in the gas phase. New STs are efficient in trapping OH, hydroxyalkyl, or HO2 radicals. EPR spectra of the spin adducts (SA) of studied dinitrones are triplets of doublets characteristic of the nitroxides with one radical center. Imidazoline ST with amino nitrogen exhibits pH-dependent hyperfine splittings of its SAs. Some spin traps were shown to be efficient in detecting R in the atmospheric experiments.

  DOI：

  10.1021/jp960438e