N-[4-Chloro-6-(4-chlorophenylamino)-2-methylpyrimidin-5-yl]-2-fluorobenzamide | 686344-51-4

• 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: N-[4-Chloro-6-(4-chlorophenylamino)-2-methylpyrimidin-5-yl]-2-fluorobenzamide
• 英文别名: N-[4-chloro-6-(4-chloroanilino)-2-methylpyrimidin-5-yl]-2-fluorobenzamide
• CAS: 686344-51-4
• 化学式: C₁₈H₁₃Cl₂FN₄O
• 分子量: 391.232
• InChiKey: DEXBKKDOKITSMZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  66.9
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-[4-Chloro-6-(4-chlorophenylamino)-2-methylpyrimidin-5-yl]-2-fluorobenzamide 在 copper(l) iodide 、 potassium carbonate 、 N,N'-二甲基乙二胺 作用下， 以 甲苯 为溶剂， 反应 6.0h， 以36%的产率得到N-(4-chlorophenyl)-2-(2-fluorophenyl)-5-methyloxazolo[5,4-d]pyrimidin-7-amine
  参考文献：
  名称：

  Facile synthesis of 2,5,7-trisubstituted oxazolo[5,4-d]pyrimidines via copper-catalyzed intramolecular C–O bond formation

  摘要：

  A novel and convenient synthesis of 2,5,7-trisubstituted oxazolo[5,4-d]pyrimidines was presented. The key step involved an intramolecular C-O cross-coupling of the ortho-halopyrimidine amide via a copper (I)-mediated cyclization reaction, which provided target trisubstituted oxazolopyrimidine in moderate to good yields. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.03.080
• 作为产物：
  描述：

  2-甲基-4,6-二氯-5-氨基嘧啶 在 吡啶 、 盐酸 作用下， 以 乙醇 、 二氯甲烷 、 水 为溶剂， 反应 10.0h， 生成 N-[4-Chloro-6-(4-chlorophenylamino)-2-methylpyrimidin-5-yl]-2-fluorobenzamide
  参考文献：
  名称：

  Facile synthesis of 2,5,7-trisubstituted oxazolo[5,4-d]pyrimidines via copper-catalyzed intramolecular C–O bond formation

  摘要：

  A novel and convenient synthesis of 2,5,7-trisubstituted oxazolo[5,4-d]pyrimidines was presented. The key step involved an intramolecular C-O cross-coupling of the ortho-halopyrimidine amide via a copper (I)-mediated cyclization reaction, which provided target trisubstituted oxazolopyrimidine in moderate to good yields. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.03.080

文献信息

• Purine compounds and uses thereof
  申请人：Pfizer Inc.

  公开号：US20040092520A1

  公开（公告）日：2004-05-13

  Compounds of Formula (I) that act as cannabinoid receptor ligands and their uses in the treatment of diseases linked to the mediation of the cannabinoid receptors in animals are described herein. 1

  本文描述了化学式为（I）的化合物，它们作为大麻素受体配体，并且在动物中治疗与大麻素受体介导的疾病相关的用途。
• Cannabinoid Receptor Ligands and Uses Thereof
  申请人：Griffith A. David

  公开号：US20060241120A1

  公开（公告）日：2006-10-26

  Compounds of Formula (I) that act as cannabinoid receptor ligands and their uses in the treatment of diseases linked to the mediation of the cannabinoid receptors in animals are described herein.

  本文介绍了一种化合物（I）的配方，其作为大麻素受体配体，并且在动物中治疗与大麻素受体介导的疾病相关的用途。
• PURINE COMPOUNDS AND USE THEREOF AS CANNABINOID RECEPTOR LIGANDS
  申请人：Pfizer Products Inc.

  公开号：EP1558615B1

  公开（公告）日：2007-08-29
• US7129239B2
  申请人：——

  公开号：US7129239B2

  公开（公告）日：2006-10-31
• Facile synthesis of 2,5,7-trisubstituted oxazolo[5,4-d]pyrimidines via copper-catalyzed intramolecular C–O bond formation
  作者：Dan Xu、Li-Ping Sun、Qi-Dong You

  DOI：10.1016/j.tet.2012.03.080

  日期：2012.6

  A novel and convenient synthesis of 2,5,7-trisubstituted oxazolo[5,4-d]pyrimidines was presented. The key step involved an intramolecular C-O cross-coupling of the ortho-halopyrimidine amide via a copper (I)-mediated cyclization reaction, which provided target trisubstituted oxazolopyrimidine in moderate to good yields. (C) 2012 Elsevier Ltd. All rights reserved.