2,4-dibromo-N-cyclopropylaniline | 1366297-30-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2,4-dibromo-N-cyclopropylaniline
• CAS: 1366297-30-4
• 化学式: C₉H₉Br₂N
• 分子量: 290.985
• InChiKey: UPTVTNQOVVLXSV-UHFFFAOYSA-N

物化性质

• 沸点：
  333.2±32.0 °C(Predicted)
• 密度：
  1.932±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2,4-dibromo-N-cyclopropylaniline 在 air 作用下， 反应 528.0h， 以35%的产率得到N-(2,4-dibromophenyl)-3-hydroxypropanamide
  参考文献：
  名称：

  Air Oxidation of N-Cyclopropylanilines

  摘要：

  Air oxidation of N-cyclopropylanilines was shown to occur under either ambient conditions or accelerated conditions (warming or shining light) in an open container. A subsequent fragmentation resulted in formation of the corresponding acetamide. While potential mechanisms have been previously proposed, simple aerobic oxidation to beta-hydroxy-propionamides in the absence of a radical promoter has not been previously reported.

  DOI：

  10.1080/00397911.2010.545166
• 作为产物：
  描述：

  2,4-二溴苯胺 在 aluminum (III) chloride 、 sodium tetrahydroborate 作用下， 以 四氢呋喃 、 甲醇 、 溶剂黄146 为溶剂， 生成 2,4-dibromo-N-cyclopropylaniline
  参考文献：
  名称：

  Air Oxidation of N-Cyclopropylanilines

  摘要：

  Air oxidation of N-cyclopropylanilines was shown to occur under either ambient conditions or accelerated conditions (warming or shining light) in an open container. A subsequent fragmentation resulted in formation of the corresponding acetamide. While potential mechanisms have been previously proposed, simple aerobic oxidation to beta-hydroxy-propionamides in the absence of a radical promoter has not been previously reported.

  DOI：

  10.1080/00397911.2010.545166

文献信息

• Air Oxidation of <i>N</i>-Cyclopropylanilines
  作者：Anthony Blackburn、Daniel M. Bowles、Timothy T. Curran、Hui Kim

  DOI：10.1080/00397911.2010.545166

  日期：2012.6.15

  Air oxidation of N-cyclopropylanilines was shown to occur under either ambient conditions or accelerated conditions (warming or shining light) in an open container. A subsequent fragmentation resulted in formation of the corresponding acetamide. While potential mechanisms have been previously proposed, simple aerobic oxidation to beta-hydroxy-propionamides in the absence of a radical promoter has not been previously reported.