2-[2-(3-Chloro-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]pyrimidine | 1375748-22-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-[2-(3-Chloro-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]pyrimidine
• 英文别名: 2-[2-(3-chloro-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]pyrimidine
• CAS: 1375748-22-3
• 化学式: C₁₄H₁₃ClN₄O
• 分子量: 288.736
• InChiKey: VIVVLORJMBFFJF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  50.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-氯-4-甲氧基苯甲醛 在 N-溴代丁二酰亚胺(NBS) 、 palladium diacetate 、 caesium carbonate 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 16.33h， 生成 2-[2-(3-Chloro-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]pyrimidine
  参考文献：
  名称：

  Novel diversely substituted 1-heteroaryl-2-imidazolines for fragment-based drug discovery

  摘要：

  A palladium-catalyzed Buchwald-Hartwig arylation protocol has been applied to achieve high-yielding N-heteroarylation of a diverse set of privileged 2-imidazolines. The resulting compounds are of interest as a novel type of molecular tool for fragment-based drug discovery. The potential for combining two 2-imidazoline moieties in a heteroarene-linked dimer via sequential Pd-catalyzed arylation has been demonstrated. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.03.122

文献信息

• Novel diversely substituted 1-heteroaryl-2-imidazolines for fragment-based drug discovery
  作者：Mikhail Krasavin

  DOI：10.1016/j.tetlet.2012.03.122

  日期：2012.6

  A palladium-catalyzed Buchwald-Hartwig arylation protocol has been applied to achieve high-yielding N-heteroarylation of a diverse set of privileged 2-imidazolines. The resulting compounds are of interest as a novel type of molecular tool for fragment-based drug discovery. The potential for combining two 2-imidazoline moieties in a heteroarene-linked dimer via sequential Pd-catalyzed arylation has been demonstrated. (C) 2012 Elsevier Ltd. All rights reserved.