4-Amino-6-(4-nitroanilino)pyrimidine-5-carbaldehyde;hydrochloride | 1004956-66-4

• 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-Amino-6-(4-nitroanilino)pyrimidine-5-carbaldehyde;hydrochloride
• CAS: 1004956-66-4
• 化学式: C₁₁H₉N₅O₃*ClH
• 分子量: 295.685
• InChiKey: BQWCTKSFVCSKNN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.94
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  127
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  4-硝基苯胺 、 4-氨基-6-氯-5-醛基嘧啶 在 盐酸 作用下， 以 乙腈 为溶剂， 以88%的产率得到4-Amino-6-(4-nitroanilino)pyrimidine-5-carbaldehyde;hydrochloride
  参考文献：
  名称：

  A chemoselective aniline–chloropyrimidine coupling in a competing electrophilic environment

  摘要：

  A highly chemoselective substitution on 4-amino-6-chloropyrimidine ring system having a competing aldehyde functionality has been realized with anilines which produces 4, 6-diaminopyrimidine-5-carbaldehyde in high yield. The reaction may involve the intermediacy of imines. A variety of aromatic amines participate in this reaction successfully to generate diaminopyrimidine aldehydes in moderate to high yield. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.11.009

文献信息

• A chemoselective aniline–chloropyrimidine coupling in a competing electrophilic environment
  作者：Anusuya Choudhury、Hongfeng Chen、Christopher N. Nilsen、Kirk L. Sorgi

  DOI：10.1016/j.tetlet.2007.11.009

  日期：2008.1

  A highly chemoselective substitution on 4-amino-6-chloropyrimidine ring system having a competing aldehyde functionality has been realized with anilines which produces 4, 6-diaminopyrimidine-5-carbaldehyde in high yield. The reaction may involve the intermediacy of imines. A variety of aromatic amines participate in this reaction successfully to generate diaminopyrimidine aldehydes in moderate to high yield. (C) 2007 Elsevier Ltd. All rights reserved.