N-(2-Amino-5-chloro-4-methyl-phenyl)-2-chloro-propionamide | 868771-39-5

• 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: N-(2-Amino-5-chloro-4-methyl-phenyl)-2-chloro-propionamide
• 英文别名: N-(2-amino-5-chloro-4-methylphenyl)-2-chloropropanamide
• CAS: 868771-39-5
• 化学式: C₁₀H₁₂Cl₂N₂O
• 分子量: 247.124
• InChiKey: ZKGHTZVNQXBLHV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  55.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-(2-Amino-5-chloro-4-methyl-phenyl)-2-chloro-propionamide 在 碳酸氢钠 、 sodium iodide 作用下， 以 乙腈 为溶剂， 反应 15.0h， 以36%的产率得到7-Chloro-3,6-dimethyl-3,4-dihydro-1H-quinoxalin-2-one
  参考文献：
  名称：

  Synthesis of Substituted 1,3-Dimethyl-1H-quinoxalin-2-ones from Aniline Derivatives

  摘要：

  Substituted 1,3-dimethyl-1H-quinoxalin-2-ones (7) have been synthesized through the procedures of acylation, nitration, reduction, intramolecular alkylation, oxidation, and N-methylation starting from 3,4-disubstituted aniline.

  DOI：

  10.3987/com-05-10461
• 作为产物：
  描述：

  2-氯-丙酸-(3-氯-4-甲基-苯胺) 在 硫酸 、 ammonium chloride 、 铁粉 、 溶剂黄146 、 potassium nitrate 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 生成 N-(2-Amino-5-chloro-4-methyl-phenyl)-2-chloro-propionamide
  参考文献：
  名称：

  Novel Approach to 3‐Methyl‐1H‐quinoxalin‐2‐ones

  摘要：

  A novel approach to the synthesis of 3-methyl-1H-quinoxalin-2-ones has been described. These compounds were regioselectively prepared by starting from substituted phenylamines and alpha-chloropropionyl chloride through the efficient procedures of acylation, nitration, reduction, intramolecular alkylation, and oxidation.

  DOI：

  10.1080/00397910500213880

文献信息

• Novel Approach to 3‐Methyl‐1H‐quinoxalin‐2‐ones
  作者：Xun Li、Donghua Wang、Jifeng Wu、Wenfang Xu

  DOI：10.1080/00397910500213880

  日期：2005.10

  A novel approach to the synthesis of 3-methyl-1H-quinoxalin-2-ones has been described. These compounds were regioselectively prepared by starting from substituted phenylamines and alpha-chloropropionyl chloride through the efficient procedures of acylation, nitration, reduction, intramolecular alkylation, and oxidation.
• Synthesis of Substituted 1,3-Dimethyl-1H-quinoxalin-2-ones from Aniline Derivatives
  作者：Xun Li、Donghua Wang、Jifeng Wu、Wenfang Xu

  DOI：10.3987/com-05-10461

  日期：——

  Substituted 1,3-dimethyl-1H-quinoxalin-2-ones (7) have been synthesized through the procedures of acylation, nitration, reduction, intramolecular alkylation, oxidation, and N-methylation starting from 3,4-disubstituted aniline.