tert-butyl 4-(4-phenyl-1H-imidazol-2-yl)piperidine-1-carboxylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: tert-butyl 4-(4-phenyl-1H-imidazol-2-yl)piperidine-1-carboxylate
• 英文别名: 4-(4-phenyl-1H-imidazol-2-yl)-piperidine-1-carboxylic acid tert-butyl ester；tert-butyl 4-(5-phenyl-1H-imidazol-2-yl)piperidine-1-carboxylate
• 化学式: C₁₉H₂₅N₃O₂
• 分子量: 327.426
• InChiKey: JFRONNXPPRHUPJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  58.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  tert-butyl 4-(4-phenyl-1H-imidazol-2-yl)piperidine-1-carboxylate 在 盐酸 作用下， 以 甲醇 为溶剂， 生成 4-(4-phenyl-1H-imidazol-2-yl)piperidine
  参考文献：
  名称：

  Syntheses and SAR studies of 4-(heteroarylpiperdin-1-yl-methyl)-pyrrolidin-1-yl-acetic acid antagonists of the human CCR5 chemokine receptor

  摘要：

  Efforts toward the exploration of the title compounds as CCR5 antagonists are disclosed. The basis for such work stems from the fact that cellular proliferation of HIV-1 requires the cooperative assistance of both CCR5 and CD4 receptors. The synthesis and SAR of pyrrolidineacetic acid derivatives as CCR5 antagonists displaying potent binding and antiviral properties in a HeLa cell-based HIV-1 infectivity assay are discussed. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.04.078
• 作为产物：
  描述：

  4-Hydroxy-4-[4-phenyl-1-(2-trimethylsilanyloxy-ethyl)-1H-imidazol-2-yl]-piperidine-1-carboxylic acid tert-butyl ester 在 platinum(IV) oxide 四丁基氟化铵 、 氢气 、 甲基磺酰氯 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 为溶剂， 生成 tert-butyl 4-(4-phenyl-1H-imidazol-2-yl)piperidine-1-carboxylate
  参考文献：
  名称：

  Syntheses and SAR studies of 4-(heteroarylpiperdin-1-yl-methyl)-pyrrolidin-1-yl-acetic acid antagonists of the human CCR5 chemokine receptor

  摘要：

  Efforts toward the exploration of the title compounds as CCR5 antagonists are disclosed. The basis for such work stems from the fact that cellular proliferation of HIV-1 requires the cooperative assistance of both CCR5 and CD4 receptors. The synthesis and SAR of pyrrolidineacetic acid derivatives as CCR5 antagonists displaying potent binding and antiviral properties in a HeLa cell-based HIV-1 infectivity assay are discussed. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.04.078

文献信息

• Nickel‐Catalyzed Construction of 2,4‐Disubstituted Imidazoles <i>via</i> C–C Coupling and C−N Condensation Cascade Reactions
  作者：Shengyang Fang、Haihua Yu、Xicheng Yang、Jianqi Li、Liming Shao

  DOI：10.1002/adsc.201900096

  日期：2019.7.11

  A convenient Ni(II)‐catalyzed C−C and C−N cascade coupling reaction was developed to directly access various 2,4‐disubstituted imidazoles. The reaction scope covers a variety of aryl and aliphatic substitutions, which demonstrate moderate‐to‐excellent yields. The tolerance of halogen and N‐containing heterocyclic groups demonstrates the versatility of this method for further synthetic explorations

  开发了一种方便的Ni（II）催化的C-C和C-N级联偶联反应，可直接使用各种2,4-二取代的咪唑。反应范围涵盖了各种芳基和脂肪族取代基，显示出中等至优异的收率。卤素和公差Ñ含杂环基团的演示此方法作进一步的合成探索的多功能性。
• AKT AND P70 S6 KINASE INHIBITORS
  申请人：Shepherd Timothy Alan

  公开号：US20100120801A1

  公开（公告）日：2010-05-13

  The present invention provides AKT and p70 S6 kinase inhibitors of the formula: The present invention also provides pharmaceutical compositions comprising compounds of Formula I, uses of compounds of Formula I and methods of using compounds of Formula I.

  本发明提供了式子为AKT和p70 S6激酶抑制剂的药物。本发明还提供了包含式子I化合物的药物组合物，式子I化合物的用途以及使用式子I化合物的方法。
• NOVEL BETULINIC PROLINE IMIDAZOLE DERIVATIVES AS HIV INHIBITORS
  申请人：HETERO RESEARCH FOUNDATION

  公开号：US20170129916A1

  公开（公告）日：2017-05-11

  The invention relates to novel betulinic proline substituted derivatives, related compounds, and pharmaceutical compositions useful for the therapeutic treatment of viral diseases and particularly HIV mediated diseases.
• US8148387B2
  申请人：——

  公开号：US8148387B2

  公开（公告）日：2012-04-03
• Syntheses and SAR studies of 4-(heteroarylpiperdin-1-yl-methyl)-pyrrolidin-1-yl-acetic acid antagonists of the human CCR5 chemokine receptor
  作者：K. Shankaran、Karla L. Donnelly、Shrenik K. Shah、Ravindra N. Guthikonda、Malcolm MacCoss、Sander G. Mills、Sandra L. Gould、Lorraine Malkowitz、Salvatore J. Siciliano、Martin S. Springer、Anthony Carella、Gwen Carver、Daria Hazuda、Karen Holmes、Joseph Kessler、Janet Lineberger、Michael D. Miller、Emilio A. Emini、William A. Schleif

  DOI：10.1016/j.bmcl.2004.04.078

  日期：2004.7

  Efforts toward the exploration of the title compounds as CCR5 antagonists are disclosed. The basis for such work stems from the fact that cellular proliferation of HIV-1 requires the cooperative assistance of both CCR5 and CD4 receptors. The synthesis and SAR of pyrrolidineacetic acid derivatives as CCR5 antagonists displaying potent binding and antiviral properties in a HeLa cell-based HIV-1 infectivity assay are discussed. (C) 2004 Elsevier Ltd. All rights reserved.