1-(4-甲氧基苯基)哌啶-4-酮 | 94635-24-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 1-(4-甲氧基苯基)哌啶-4-酮
• 英文名称: 1-(4-methoxyphenyl)-4-piperidone
• 英文别名: 1-(4-Methoxyphenyl)piperidin-4-one
• CAS: 94635-24-2
• 化学式: C₁₂H₁₅NO₂
• mdl: MFCD05864575
• 分子量: 205.257
• InChiKey: MHCJYEJFOPYGEL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.416
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  1-(4-甲氧基苯基)哌啶-4-酮 在 盐酸羟胺 、 potassium carbonate 作用下， 以 乙醇 、 水 为溶剂， 生成 1-(1-Phenyl-4-piperidyl)-4-<(4-cyano-1-naphthyl)methylene>piperidine
  参考文献：
  名称：

  Stepwise versus Direct Long-Range Charge Separation in Molecular Triads

  摘要：

  Trifunctional electron donor-donor-acceptor molecules are described in which photoinduced charge separation, D-2-D-1-A* --> D-2-D-1(+)-A(-), is followed by a charge migration step D-2-D-1(+)-A(-) (CS1) --> D-2(+)-D-1-A- (CS2), leading to a relatively long-lived charge-separated state. The rate of the charge migration process could be determined in a range of solvents of low polarity. In benzene and dioxane, reversibility of the process allowed the determination of the free energy difference between CS1 and CS2. The relative energy of the CS2 state is much lower than expected from simple electrostatic models. An increase of the charge migration rate was found with increasing solvent polarity within a series of alkyl ethers or alkyl acetates. However, an apparent preferential stabilization of the CS1 state in acetates relative to ethers leads to discontinuities in the solvatochromic shift behavior of the CT fluorescence from the CS1 state, and in the increase of the charge migration rate as a function of dielectric constant. In a reference compound lacking the intermediate redox unit, direct long-range charge separation yielding a D-2(+)-bridge-A(-) charge-separated state can occur, but the yield is significantly lower than in the triads.

  DOI：

  10.1021/ja983716r
• 作为产物：
  描述：

  4-碘苯甲醚 在 2-双环己基膦-2',6'-二甲氧基联苯 、 tris-(dibenzylideneacetone)dipalladium(0) 、 甲酸 、 sodium t-butanolate 作用下， 以 1,4-二氧六环 为溶剂， 反应 8.0h， 生成 1-(4-甲氧基苯基)哌啶-4-酮
  参考文献：
  名称：

  [EN] NOVEL TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION
  [FR] NOUVELLES TÉTRAHYDROPYRIDOPYRIMIDINES ET TÉTRAHYDROPYRIDOPYRIDINES POUR LE TRAITEMENT ET LA PRÉVENTION D'UNE INFECTION PAR LE VIRUS DE L'HÉPATITE B

  摘要：

  这项发明提供了具有一般式（I）的新化合物：其中R1、R2、R3、Q、U、W、Z、X和Y如本文所述，包括这些化合物的组合物以及使用这些化合物的方法。这些化合物是HbsAg抑制剂，可用作治疗或预防HBV感染的药物。

  公开号：

  WO2016107832A1
• 作为试剂：
  描述：

  benzyl rac-(3R,4R)-3-(benzyloxy)-4-[({[3-(trifluoromethyl)benzoyl]amino}acetyl)amino]pyrrolidine-1-carboxylate 、 碘代三甲硅烷 在 1-(4-甲氧基苯基)哌啶-4-酮 、 三乙酰氧基硼氢化钠 、 碳酸氢钠 、 二氯甲烷 、 Sodium sulfate-III 、 N-[2-({(3R,4R)-4-benzyloxy)-1-[1-(4-methoxyphenyl)piperidin-4-yl]pyrrolidin-3-yl}amino)-2-oxoethyl 、 3-trifluoromethyl 作用下， 以 二氯甲烷 为溶剂， 反应 17.0h， 以to afford N-[2-({(3R,4R)-4-benzyloxy)-1-[1-(4-methoxyphenyl)piperidin-4-yl]pyrrolidin-3-yl}amino)-2-oxoethyl]-3-trifluoromethyl)benzamide (55 mg overall) as a white solid的产率得到苯甲酰胺
  参考文献：
  名称：

  Compounds useful as antagonists of CCR2

  摘要：

  本发明提供了通式I的化合物：或其药学上可接受的盐，其中X，n，Y和R1在此总体上和子集中被定义。本发明的化合物是CCR2的抑制剂，因此可用于治疗各种炎症、过敏和自身免疫性疾病、疾病或病况。

  公开号：

  US08067457B2

文献信息

• 2,4-diamino-[4-piperidinyl]pyrimidines useful as antibacterial agents,
  申请人：Hoffmann-La Roche Inc.

  公开号：US04590270A1

  公开（公告）日：1986-05-20

  The pyrimidine derivatives of formula I ##STR1## wherein R.sup.1 is naphthyl, substituted naphthyl or substituted phenyl; R.sup.2 is hydrogen or lower alkoxy; and A is an optionally present ethylene or 1,3-propylene, and wherein the diaminopyridine group has the exo-configuration when A is present, are described. These compounds are useful as antibacterial agents, antimalarial agents and antitumor agents, and can be used in combination with sulfonamides in the control of bacterial infections.

  公式I的嘧啶衍生物如下：其中R.sup.1是萘基、取代萘基或取代苯基；R.sup.2是氢或低碳氧基；A是可选择存在的乙烯基或1,3-丙二烯基，当A存在时，二氨基吡啶基团呈外向构型。这些化合物可用作抗菌剂、抗疟疾剂和抗肿瘤剂，并可与磺胺类药物结合使用以控制细菌感染。
• An improved synthesis of N-aryl and N-heteroaryl substituted piperidones
  作者：Uwe Schön、Josef Messinger、M. Buckendahl、M.S. Prabhu、A. Konda

  DOI：10.1016/j.tetlet.2007.02.053

  日期：2007.4

  An efficient Pd(0)-catalyzed protocol for the rapid and efficient preparation of N-aryl and N-heteroaryl substituted piperidones is described. The two step syntheses proceed with an overall yield of 50–70% using X-Phos as optimal ligand for the Pd(0)-catalyzed Buchwald–Hartwig amination followed by subsequent hydrolysis of resulted ketals.

  描述了一种快速有效制备N-芳基和N-杂芳基取代的哌啶酮的有效Pd（0）催化方案。使用X-Phos作为Pd（0）催化的Buchwald-Hartwig胺化反应的最佳配体，两步合成的总产率为50-70％，随后水解生成的缩酮。
• Synthesis of 2,3‐Dihydro‐4‐pyridones, 4‐Quinolones, and 2,3‐Dihydro‐4‐azocinones by Visible‐Light Photocatalytic Aerobic Dehydrogenation
  作者：Adrian Sevenich、Paulina Sophie Mark、Torsten Behrendt、Jonathan Groß、Till Opatz

  DOI：10.1002/ejoc.201900584

  日期：2020.3.15

  A protocol for the synthesis of three types of N‐heterocycles was developed. Cyclic enaminones were prepared under eco‐friendly conditions by photocatalytic dehydrogenation using rhodamine 6G as inexpensive photocatalyst and oxygen as the terminal oxidant. The method was extended to access azocinones by a [2+2] cycloaddition/ring‐expansion sequence in a one‐pot procedure.

  已开发出用于合成三种类型的N-杂环的协议。环烯胺酮是在环境友好的条件下通过使用罗丹明6G作为廉价的光催化剂并使用氧气作为末端氧化剂进行光催化脱氢制备的。通过一锅法中的[2 + 2]环加成/扩环序列，将该方法扩展为可使用偶氮酮。
• Synthesis and exploratory photophysical investigation of donor-bridge-acceptor systems derived from N-substituted 4-piperidones
  作者：T. Scherer、W. Hielkema、B. Krijnen、R. M. Hermant、C. Eijckelhoff、F. Kerkhof、A. K. F. Ng、R. Verleg、E. B. van der Tol、A. M. Brouwer、J. W. Verhoeven

  DOI：10.1002/recl.19931121005

  日期：——

  in which the N substituent can easily be varied. A number of intramolecular donor-acceptor systems was synthesized from these piperidones by conversion of the carbonyl functionality. The influence of the N-aryl donor on the electronic absorption and fluorescence spectra was investigated systematically. It was concluded that some systems can be used as efficient fluorescent probes with a high sensitivity

  我们报告了N-芳基和N-烷基取代的4-哌啶酮的两步合成法，其中N取代基很容易改变。通过羰基官能团的转化，由这些哌啶酮合成了许多分子内供体-受体系统。系统地研究了N-芳基供体对电子吸收和荧光光谱的影响。结论是，某些系统可以用作对溶剂极性具有高灵敏度的高效荧光探针。
• 1H-indole-6-yl-piperazin-1-yl-methanone derivatives
  申请人：Nettekoven Matthias

  公开号：US20080032976A1

  公开（公告）日：2008-02-07

  The present invention relates to the compounds of formula I: wherein R 1 to R 4 are as defined in the description and claims, and pharmaceutically acceptable salts thereof. The compounds are useful for the treatment and/or prevention of diseases which are associated with the modulation of H3 receptors.

  本发明涉及公式I的化合物：其中R1到R4如描述和索赔中定义，并且其药学上可接受的盐。这些化合物可用于治疗和/或预防与H3受体调节相关的疾病。