二乙基-(3-硝基-吡啶-4-基)-胺 | 357608-93-6

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 中文名称: 二乙基-(3-硝基-吡啶-4-基)-胺
• 英文名称: Diethyl-(3-nitro-pyridin-4-yl)-amine
• 英文别名: N,N-Diethyl-3-nitropyridin-4-amine
• CAS: 357608-93-6
• 化学式: C₉H₁₃N₃O₂
• 分子量: 195.221
• InChiKey: VGTSGONKCSNSQM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  62
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2933399090

反应信息

• 作为产物：
  描述：

  3-硝基吡啶 、 二乙胺 在 potassium permanganate 作用下， 以 二甲基亚砜 为溶剂， 反应 15.0h， 以49%的产率得到N,N-二乙基-5-硝基吡啶-2-胺
  参考文献：
  名称：

  The oxidative amination of 3-nitropyridines

  摘要：

  3-Nitropyridine was reacted with ammonia or alkylamines and KMnO4 under several different conditions. Substitutions in the pura posit ion to the nitro group were obtained with high regio selectivity: with ammonia, 2-amino-5-nitropyridine (66%), with butylamine, 2-butylamino-5-nitropyridine (92%), with diethylamine, 2-diethylamino-5-nitropyridine (49%). Under the same conditions, with methyl-3-nitroisonicotinoate and diethylamine/KMnO4, methyl 2-diethylamino-5-nitroisonicotinoate (48%), with 4-acetyl-3-nitropyridine (protected by ethylene glycol) 2-diethylamino-4-acetyl-5-nitropyridine (72%, protected) and with 4-cyano-3-nitropyridine, 2-amino-4-cyano-5-nitropyridine (41%) were obtained. All yields are isolated. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)00724-9

文献信息

• The oxidative amination of 3-nitropyridines
  作者：Jan M Bakke、Harald Svensen

  DOI：10.1016/s0040-4039(01)00724-9

  日期：2001.6

  3-Nitropyridine was reacted with ammonia or alkylamines and KMnO4 under several different conditions. Substitutions in the pura posit ion to the nitro group were obtained with high regio selectivity: with ammonia, 2-amino-5-nitropyridine (66%), with butylamine, 2-butylamino-5-nitropyridine (92%), with diethylamine, 2-diethylamino-5-nitropyridine (49%). Under the same conditions, with methyl-3-nitroisonicotinoate and diethylamine/KMnO4, methyl 2-diethylamino-5-nitroisonicotinoate (48%), with 4-acetyl-3-nitropyridine (protected by ethylene glycol) 2-diethylamino-4-acetyl-5-nitropyridine (72%, protected) and with 4-cyano-3-nitropyridine, 2-amino-4-cyano-5-nitropyridine (41%) were obtained. All yields are isolated. (C) 2001 Elsevier Science Ltd. All rights reserved.