4-(4-溴苯基)-5-甲基-2-氨基嘧啶 | 913322-70-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 4-(4-溴苯基)-5-甲基-2-氨基嘧啶
• 英文名称: 4-(4-Bromo-phenyl)-5-methyl-pyrimidin-2-ylamine
• 英文别名: 4-(4-Bromophenyl)-5-methylpyrimidin-2-amine
• CAS: 913322-70-0
• 化学式: C₁₁H₁₀BrN₃
• 分子量: 264.124
• InChiKey: BURIASGCYPGUNH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  51.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(4-溴苯基)-5-甲基-2-氨基嘧啶 在 sodium tetrahydroborate 、 四氯化钛 、 sodium hydride 作用下， 以 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 2-(N-dicyclopropylmethyl-N-propylamino)-4-(4'-bromophenyl)-5-methylpyrimidine
  参考文献：
  名称：

  Design, synthesis, and SAR of 2-dialkylamino-4-arylpyrimidines as potent and selective corticotropin-releasing factor 1 (CRF 1 ) receptor antagonists

  摘要：

  A series of 2-dialkylamino-4-phenylpyrimidines (7) was designed and synthesized as CRF1 antagonists. SAR studies of this series resulted in the discovery of potent and selective antagonists 7b and 7n bearing a 4-(2,4,6-trisubstituted-phenyl) ring and a bulky 2-(N-bis(cyclopropane)methyl-N-propyl) amino group. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.02.053
• 作为产物：
  描述：

  4'-溴苯丙酮 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 生成 4-(4-溴苯基)-5-甲基-2-氨基嘧啶
  参考文献：
  名称：

  Design, synthesis, and SAR of 2-dialkylamino-4-arylpyrimidines as potent and selective corticotropin-releasing factor 1 (CRF 1 ) receptor antagonists

  摘要：

  A series of 2-dialkylamino-4-phenylpyrimidines (7) was designed and synthesized as CRF1 antagonists. SAR studies of this series resulted in the discovery of potent and selective antagonists 7b and 7n bearing a 4-(2,4,6-trisubstituted-phenyl) ring and a bulky 2-(N-bis(cyclopropane)methyl-N-propyl) amino group. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.02.053

文献信息

• Design, synthesis, and SAR of 2-dialkylamino-4-arylpyrimidines as potent and selective corticotropin-releasing factor 1 (CRF 1 ) receptor antagonists
  作者：Charles Q Huang、Dimitri E Grigoriadis、Zhengyu Liu、James R McCarthy、John Ramphal、Thomas Webb、Jeffrey P Whitten、Michael Y Xie、Chen Chen

  DOI：10.1016/j.bmcl.2004.02.053

  日期：2004.5

  A series of 2-dialkylamino-4-phenylpyrimidines (7) was designed and synthesized as CRF1 antagonists. SAR studies of this series resulted in the discovery of potent and selective antagonists 7b and 7n bearing a 4-(2,4,6-trisubstituted-phenyl) ring and a bulky 2-(N-bis(cyclopropane)methyl-N-propyl) amino group. (C) 2004 Elsevier Ltd. All rights reserved.