4-(2,4-Dinitro-phenylamino)-butyraldehyde | 206558-64-7

• 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: 4-(2,4-Dinitro-phenylamino)-butyraldehyde
• 英文别名: 4-(2,4-Dinitroanilino)butanal
• CAS: 206558-64-7
• 化学式: C₁₀H₁₁N₃O₅
• 分子量: 253.214
• InChiKey: YTMVTLHELUQEPC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  121
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2,4-二硝基氟苯 、 L-脯氨酸 在 sodium hydroxide 、 氧气 、 rose bengal 作用下， 生成 4-(2,4-Dinitro-phenylamino)-butyraldehyde
  参考文献：
  名称：

  Photooxidative Decarboxylation of Proline, a Novel Oxidative Stress to Natural Amines

  摘要：

  Proline was decarboxylated quantitatively to Delta(1)-pyrroline on photoirradiation in the presence of rose bengal, while its methyl ester yielded an equimolar mixture of Delta(1)- and Delta(5)-pyrroline-2-carboxylic acid methyl esters.The decarboxylation of proline took place under either an aerobic (O-2 bubbling) or an anaerobic ( N-2 bubbling) conditions, and under the latter condition, extent of the reaction depended on the amount of rose bengal employed. These results imply mechanistically that the reaction is the Type I photooxidation, indicating a new type of oxidative stress to natural secondary amines.

  DOI：

  10.3987/com-97-s(n)93