3-methyl-1-phenethylpiperidine | 3469-94-1

• 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: 3-methyl-1-phenethylpiperidine
• 英文别名: 3-methyl-1-phenethyl-piperidine；3-Methyl-1-phenethyl-piperidin；3-methyl-1-(2-phenylethyl)piperidine
• CAS: 3469-94-1
• 化学式: C₁₄H₂₁N
• 分子量: 203.327
• InChiKey: CWBYHFGOUVXDNK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  3-methyl-1-[(E)-2-phenylethenyl]piperidine 在 sodium cyanoborohydride 、 溶剂黄146 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 生成 3-methyl-1-phenethylpiperidine
  参考文献：
  名称：

  Hydroamination of terminal alkynes with secondary amines catalyzed by copper: regioselective access to amines

  摘要：

  一种简单方便的铜催化芳基乙炔与二级胺的氢胺化反应已经进行，经过氢胺化产物（E-烯胺）还原后，简单地获得脂肪胺的途径。

  DOI：

  10.1039/c5cc02677f

文献信息

• A potassium magnesiate complex: Synthesis, structure and catalytic intermolecular hydroamination of styrenes
  作者：Xiang-Yu Zhang、Dan-Dan Zhai、Yu-Feng Liu、Bing-Tao Guan

  DOI：10.1016/j.jorganchem.2022.122254

  日期：2022.3

  which revealed interactions between potassium and magnesium atoms via amide and benzyl group. The potassium magnesiate complex showed dramatic bimetallic synergistic effect in the catalytic intermolecular hydroamination of styrenes.

  通过简单地将氨基镁和苄基钾在甲苯中混合，合成了一种新的异质双金属镁酸钾配合物KMg[N(SiMe 3 ) 2 ] 2 Bn (Bn = PhCH 2 -)。还制备了 TMEDA 配位的镁酸钾复合物，其固体结构通过 X 射线晶体衍射表征，揭示了钾和镁原子之间通过酰胺和苄基的相互作用。镁酸钾配合物在苯乙烯的催化分子间加氢胺化中表现出显着的双金属协同效应。
• 1,4-Dihydropyridine-3,5-dicarboxylic acid ester derivatives
  申请人：Yoshitomi Pharmaceutical Industries, Ltd.

  公开号：EP0088903A2

  公开（公告）日：1983-09-21

  1,4-Dihydropyridine-3,5-dicarboxylic acid ester derivatives of the general formula: or acid addition salts thereof, wherein W is -CH= or -N=; Y is -CH=CH-, -0-, -S-, -CH=N(O)p- (p is zero or 1) or -N(R)- (R is hydrogen or lower alkyl); X1, X2 and X3 are the same or different, and are each hydrogen, halogen, nitro, trifluoromethyl, cyano or lower alkylthio; Z is aryl or 5- or 6-membered aromatic heterocyclic ring (which may have a substituent or two or three substituents which may be the same or different, and the substituent may be halogen, lower alkyl, lower alkoxy, lower alkanoylamino, cyano, nitro, lower alkylthio, trifluoromethyl, sulfamoyl, di-lower alkylsulfamoyl, amino or di-lower alkylamino); -N A is 5- to 7-membered heterocyclic ring which may have nitrogen atom, oxygen atom, sulfur atom or unsaturated bond on the ring, and may be substituted by lower alkyl, lower alkoxycarbonyl, lower alkanoylamino, ethylenedioxy or ―(CH2)m―OR4 (R4 is hydrogen, lower alkyl or lower alkanoyl and m is 0, 1 or 2); R' and R2 are the same or different, and are eaah lower alkyl; R3 is lower alkyl, aralkyl, heteroaralkyl; and n is an integer 1 to 5. Such compounds are useful as antihypertensive agents and as therapeutic agents for cardiac and cerebral circulation disorders.

  通式为 1,4-二氢吡啶-3,5-二羧酸酯衍生物： 或其酸加成盐，其中 W 是-CH=或-N=；Y 是-CH=CH-、-0-、-S-、-CH=N(O)p-（p 是 0 或 1）或-N(R)-（R 是氢或低级烷基）；X1、X2 和 X3 相同或不同，并且各自是氢、卤素、硝基、三氟甲基、氰基或低级烷硫基；Z 是芳基或 5 或 6 元芳香杂环（可以有一个或两个或三个取代基，取代基可以是卤素、低级烷基、低级烷氧基、低级烷氨基、氰基、硝基、低级烷硫基、三氟甲基、氨基磺酰基、二低级烷基氨基磺酰基、氨基或二低级烷氨基）；-N A 是 5 至 7 元杂环，环上可有氮原子、氧原子、硫原子或不饱和键，可被低级烷基、低级烷氧羰基、低级烷酰氨基、亚乙基二氧基或 -(CH2)m-OR4 取代（R4 为氢、低级烷基或低级烷酰基，m 为 0、1 或 2）；R'和 R2 相同或不同，并且是 eaah 低级烷基；R3 是低级烷基、芳基、杂烷基；n 是 1 至 5 的整数。此类化合物可用作降压药和心脑循环障碍的治疗剂。
• N-Arylalkylpiperidines as High-Affinity Sigma-1 and Sigma-2 Receptor Ligands: Phenylpropylamines as Potential Leads for Selective Sigma-2 Agents
  作者：Dean Y. Maeda、Wanda Williams、Wes E. Kim、Linn N. Thatcher、Wayne D. Bowen、Andrew Coop

  DOI：10.1016/s0960-894x(01)00788-0

  日期：2002.2

  To delineate the differences between the structural requirements necessary for recognition at sigma-1 and sigma-2 receptors, a range of phenethyl- and phenylpropylpiperidines were evaluated in binding assays. Phenethylpiperidines were found to favor sigma-1 receptors, whereas phenylpropylpiperidines tend to favor sigma-2 receptors. It appears that phenylpropylamine is a potential pharmacophore for selective sigma-2 ligands. (C) 2002 Elsevier Science Ltd. All rights reserved.
• FENTANYL DERIVATIVES AS PH-DEPENDENT OPIOID RECEPTOR AGONISTS
  申请人：Charité - Universitätsmedizin Berlin

  公开号：EP2744781B1

  公开（公告）日：2017-10-11
• Hydroamination of terminal alkynes with secondary amines catalyzed by copper: regioselective access to amines
  作者：Janet Bahri、Rémi Blieck、Bassem Jamoussi、Marc Taillefer、Florian Monnier

  DOI：10.1039/c5cc02677f

  日期：——

  A simple and convenient copper-catalyzed hydroamination of arylacetylenes with secondary amines has been performed giving a simple access to aliphatic amines after reduction of the hydroaminated products (E-enamines).

  一种简单方便的铜催化芳基乙炔与二级胺的氢胺化反应已经进行，经过氢胺化产物（E-烯胺）还原后，简单地获得脂肪胺的途径。