(4-(4-methylpiperazin-1-yl)phenyl)(phenyl)methanone | 217201-92-8

• 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: (4-(4-methylpiperazin-1-yl)phenyl)(phenyl)methanone
• 英文别名: 4-(N-methylpiperazino)benzophenone；[4-(4-Methylpiperazin-1-yl)phenyl]-phenylmethanone
• CAS: 217201-92-8
• 化学式: C₁₈H₂₀N₂O
• 分子量: 280.37
• InChiKey: ZJZYZTGFPOJQOQ-UHFFFAOYSA-N

物化性质

• 沸点：
  440.7±40.0 °C(Predicted)
• 密度：
  1.117±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  23.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (4-(4-methylpiperazin-1-yl)phenyl)(phenyl)methanone 在 正丁基锂 、 四甲基乙二胺 、 sodium perchlorate 、 溶剂黄146 作用下， 以 乙醚 为溶剂， 反应 0.75h， 生成
  参考文献：
  名称：

  Gorman, Stephen A.; Hepworth, John D.; Mason, Donald, Journal of the Chemical Society. Perkin Transactions 2 (2001), 2000, # 9, p. 1889 - 1895

  摘要：

  DOI：
• 作为产物：
  描述：

  在 2-双环己基膦-2',6'-二甲氧基联苯 、 tris-(dibenzylideneacetone)dipalladium(0) 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以202 mg的产率得到(4-(4-methylpiperazin-1-yl)phenyl)(phenyl)methanone
  参考文献：
  名称：

  通过亲核加成/ Buchwald–Hartwig胺化策略 对功能化酮进行一锅法模块化方法†

  摘要：

  提出了一种一般的一锅法，将有机锂试剂1,2-添加到酰胺中，然后用原位释放的锂酰胺进行布赫瓦尔德-哈特维格胺胺化。在这项工作中，酰胺被用作掩蔽的酮，通过添加可生成锂酰胺的有机锂试剂揭示，该酰胺适合于随后在钯催化剂存在下进行的布赫瓦尔德-哈特维格偶联反应。该方法允许以良好的产率快速，有效和原子经济地合成氨基芳基酮。

  DOI：

  10.1039/c8cc08444k

文献信息

• Small molecule toll-like receptor (TLR) antagonists
  申请人：Lipford B. Grayson

  公开号：US20070232622A1

  公开（公告）日：2007-10-04

  The invention provides methods and compositions useful for modulating signaling through Toll-like receptors. The methods involve contacting a TLR-expressing cell with a small molecule having a core structure including at least two rings. Certain of the compounds are 4-primary amino quinolines. Many of the compounds and methods are useful specifically for inhibiting immune stimulation involving at least one of TLR9, TLR8, TLR7, and TLR3. The methods may have use in the treatment of autoimmunity, inflammation, allergy, asthma, graft rejection, graft versus host disease, infection, sepsis, cancer, and immunodeficiency.

  本发明提供了用于调节通过Toll样受体信号传导的方法和组合物。该方法涉及使用一个包含至少两个环的核心结构的小分子接触TLR表达的细胞。其中某些化合物是4-主氨基喹啉。许多化合物和方法特别适用于抑制至少一个TLR9、TLR8、TLR7和TLR3的免疫刺激。该方法可能在治疗自身免疫、炎症、过敏、哮喘、移植排斥、移植物抗宿主病、感染、败血症、癌症和免疫缺陷方面有用。
• Palladium-Catalyzed Amination of Aryl Bromides Utilizing Arene−Chromium Complexes as Ligands
  作者：Ken Kamikawa、Suguru Sugimoto、Motokazu Uemura

  DOI：10.1021/jo981327+

  日期：1998.11.1

  The arene-chromium complexes of o-diphenylphosphino alpha-phenylethylamine or a-phenylethyl methyl ether derivatives were examined with regard to their activity as ligands for palladium(0)-catalyzed aryl amination of aryl bromides with a variety of amines. Both steric and electronic factors were found to be significant for the efficient palladium-catalyzed aryl amination reactions. Modulation of the inductive capacity of the arylphosphine atom was achieved by photoinduced ligand exchange of one carbonyl of the chromium tripode in the presence of electron-donating triphenylphosphine or phosphite. Among these arene-chromium ligands, the use of the monophosphineor monophosphite-(dicarbonyl)chromium of N,N-dimethyl alpha-(o-diphenylphosphino)phenylethylamine and methyl alpha-(o-diphenylphosphino)phenylethyl ether produced the palladium(0)-catalyzed aryl amination products with cyclic amines or acyclic secondary amines in high yields; the corresponding strong electron-withdrawing tricarbonylchromium complex resulted in a modest yield of the aryl amination.
• US7410975B2
  申请人：——

  公开号：US7410975B2

  公开（公告）日：2008-08-12
• One-pot, modular approach to functionalized ketones <i>via</i> nucleophilic addition/Buchwald–Hartwig amination strategy
  作者：Jorn de Jong、Dorus Heijnen、Hugo Helbert、Ben L. Feringa

  DOI：10.1039/c8cc08444k

  日期：——

  followed by the Buchwald–Hartwig amination with in situ released lithium amides is presented. In this work amides are used as masked ketones, revealed by the addition of organolithium reagents which generates a lithium amide, suitable for subsequent Buchwald–Hartwig coupling in the presence of a palladium catalyst. This methodology allows for rapid, efficient and atom economic synthesis of aminoarylketones

  提出了一种一般的一锅法，将有机锂试剂1,2-添加到酰胺中，然后用原位释放的锂酰胺进行布赫瓦尔德-哈特维格胺胺化。在这项工作中，酰胺被用作掩蔽的酮，通过添加可生成锂酰胺的有机锂试剂揭示，该酰胺适合于随后在钯催化剂存在下进行的布赫瓦尔德-哈特维格偶联反应。该方法允许以良好的产率快速，有效和原子经济地合成氨基芳基酮。
• Gorman, Stephen A.; Hepworth, John D.; Mason, Donald, Journal of the Chemical Society. Perkin Transactions 2 (2001), 2000, # 9, p. 1889 - 1895
  作者：Gorman, Stephen A.、Hepworth, John D.、Mason, Donald

  DOI：——

  日期：——