4-Amino-6-(3-chloro-4-phenylmethoxyanilino)pyrimidine-5-carbaldehyde;hydrochloride | 1004956-59-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-Amino-6-(3-chloro-4-phenylmethoxyanilino)pyrimidine-5-carbaldehyde;hydrochloride
• CAS: 1004956-59-5
• 化学式: C₁₈H₁₅ClN₄O₂*ClH
• 分子量: 391.257
• InChiKey: AVNHRACGLBZXFZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.27
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  90.1
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-benzyloxy-3-chloroaniline 、 4-氨基-6-氯-5-醛基嘧啶 在 盐酸 作用下， 以 乙腈 为溶剂， 以96%的产率得到4-Amino-6-(3-chloro-4-phenylmethoxyanilino)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

• PROCESS FOR PREPARING SUBSTITUTED DIAMINOPYRIMIDINE OXIMES
  申请人：Chen Hongfeng

  公开号：US20080249304A1

  公开（公告）日：2008-10-09

  The present invention is directed to a process for chemoselective substitution on a halopyrimidine carboxaldehyde having multiple reactive sites and subsequent stereoselective oxime formation.

  本发明涉及一种针对具有多个反应位点的卤代嘧啶羧醛的化学选择性取代过程，以及随后的立体选择性肟形成。
• US8278446B2
  申请人：——

  公开号：US8278446B2

  公开（公告）日：2012-10-02
• [EN] PROCESS FOR PREPARING SUBSTITUTED DIAMINOPYRIMIDINE OXIMES<br/>[FR] PROCÉDÉ DE PRÉPARATION D'OXIMES DE DIAMINOPYRIMIDINE SUBSTITUÉS
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2008073519A1

  公开（公告）日：2008-06-19

  [EN] The present invention is directed to a process for chemoselective substitution on a halopyrimidine carboxaldehyde having multiple reactive sites and subsequent stereoselective oxime formation.
  [FR] La présente invention concerne un procédé de substitution chimiosélective sur un carboxaldéhyde d'halogéno-pyrimidine présentant des sites réactifs multiples et ensuite la formation stéréosélective d'oximes.
• 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.