N2-(1-benzyl-1H-benzo[d]imidazol-2-yl)-N4-(3-nitrophenyl)pyrimidine-2,4-diamine | 1236003-10-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: N2-(1-benzyl-1H-benzo[d]imidazol-2-yl)-N4-(3-nitrophenyl)pyrimidine-2,4-diamine
• 英文别名: 2-N-(1-benzylbenzimidazol-2-yl)-4-N-(3-nitrophenyl)pyrimidine-2,4-diamine
• CAS: 1236003-10-3
• 化学式: C₂₄H₁₉N₇O₂
• 分子量: 437.461
• InChiKey: JQIAXRBDHIBSFW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  114
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2-chloro-N-(3-nitrophenyl)pyrimidin-4-amine 、 2-氨基-1-苄基苯并咪唑 在 potassium phosphate 、 tris-(dibenzylideneacetone)dipalladium(0) 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 作用下， 以 1,4-二氧六环 为溶剂， 反应 6.0h， 以54%的产率得到N2-(1-benzyl-1H-benzo[d]imidazol-2-yl)-N4-(3-nitrophenyl)pyrimidine-2,4-diamine
  参考文献：
  名称：

  Convenient preparation of 4-aryl-2-(heteroarylamino)pyrimidines and 4-anilino-2-(heteroarylamino)pyrimidines

  摘要：

  4-Aryl-2-anilinopyrimidines and 2,4-dianilinopyrimidines are privileged structures found in many drug-like molecules and biologically active compounds. A method for the quick assembly of novel 4-aryl- and 4-anilino-2-(heteroarylamino)pyrimidines via Buchwald-Hartwig N-arylations at elevated temperatures under sealed tube conditions is reported. This method's convenience and practicality is demonstrated through the preparation of several novel non-nucleoside reverse transcriptase inhibitor (NNRTI) analogues. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.04.062

文献信息

• Convenient preparation of 4-aryl-2-(heteroarylamino)pyrimidines and 4-anilino-2-(heteroarylamino)pyrimidines
  作者：Brian I. Bliss、Feryan Ahmed、Subashree Iyer、Weimin Lin、Joel Walker、He Zhao

  DOI：10.1016/j.tetlet.2010.04.062

  日期：2010.6

  4-Aryl-2-anilinopyrimidines and 2,4-dianilinopyrimidines are privileged structures found in many drug-like molecules and biologically active compounds. A method for the quick assembly of novel 4-aryl- and 4-anilino-2-(heteroarylamino)pyrimidines via Buchwald-Hartwig N-arylations at elevated temperatures under sealed tube conditions is reported. This method's convenience and practicality is demonstrated through the preparation of several novel non-nucleoside reverse transcriptase inhibitor (NNRTI) analogues. (C) 2010 Elsevier Ltd. All rights reserved.