piperidine sodium | 1865-47-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: piperidine sodium
• 英文别名: sodium piperidine；Sodium;piperidin-1-ide
• CAS: 1865-47-0
• 化学式: C₅H₁₀N*Na
• 分子量: 107.131
• InChiKey: XSYFDXCKZZIVOI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.45
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  piperidine sodium 、 1-[bromo(phenyl)methyl]pyridin-1-ium;bromide 以 二氯甲烷 为溶剂， 反应 1.0h， 以52%的产率得到1-(苯基-哌啶-1-基甲基)哌啶
  参考文献：
  名称：

  N-(1-haloalkyl)pyridinium salts: preparation and use for new syntheses of other N-(1-substituted-alkyl)pyridinium salts, N,N'-(1-alkylidene)bisamines, and N,N'-(1-alkylidene)bisbenzazoles

  摘要：

  DOI：

  10.1021/jo00281a021
• 作为试剂：
  描述：

  octa-2,4,6-triene 在 piperidine sodium 作用下， 以 四氢呋喃 、 环己烷 为溶剂， 反应 96.08h， 生成 1-Methyl-8,8,9,9-tetracyano-bicyclo<3.2.2.>nonen-(6)
  参考文献：
  名称：

  Isomerization and cyclization of octatrienes

  摘要：

  DOI：

  10.1021/jo01266a058

文献信息

• Ambient Moisture Accelerates Hydroamination Reactions of Vinylarenes with Alkali‐Metal Amides under Air
  作者：Florian F. Mulks、Leonie J. Bole、Laia Davin、Alberto Hernán‐Gómez、Alan Kennedy、Joaquín García‐Álvarez、Eva Hevia

  DOI：10.1002/anie.202008512

  日期：2020.10.19

  A straightforward alkali‐metal‐mediated hydroamination of styrenes using biorenewable 2‐methyltetrahydrofuran as a solvent is reported. Refuting the conventional wisdom of the incompatibility of organolithium reagents with air and moisture, shown here is that the presence of moisture is key in favoring formation of the target phenethylamines over competing olefin polymerization products. The method

  据报道，使用可生物再生的2-甲基四氢呋喃作为溶剂进行的直接的碱金属介导的苯乙烯加氢胺化反应。驳斥有机锂试剂与空气和水分不相容的传统观点，此处表明，水分的存在是形成目标苯乙胺优于竞争性烯烃聚合产物的关键。该方法也与氨基钠兼容，后者在惰性气氛条件下作为高效催化剂显示出极好的前景。
• Synthesis, crystal structure, computational, and molecular docking studies of bis {1,1'-[1,3,5-Trimethyl-1,3-phenylenebis(methylene)]di-1H-piperidinium}tetrabromide tri hydrate
  作者：P. Pon Matheswari、Radhakrishnan Nandini Asha、J. Ilavarasi Jeyamalar、P. Selvarathy Grace、Dieter Schollmeyer、B. Ravindran Durai Nayagam

  DOI：10.1080/15421406.2022.2056296

  日期：2022.9.2

  Recently synthesized crystal of Bis 1,1'-[1,3,5-Trimethyl-1,3-phenylenebis(methylene)]di-1H-piperidinium}tetrabromide trihydrate (PD1Br) crystallizes in the monoclinic space group P21/c. The piperidine ring as a whole adopted chair conformation. Hirshfeld surface technique is useful for determining molecular nature and visualizing intermolecular relations in crystal structures. The molecular configuration

  摘要 最近合成的双1,1'-[1,3,5-三甲基-1,3-亚苯基双(亚甲基)]二-1H-哌啶}四溴化物三水合物( PD1Br )晶体在单斜空间群P2 1 /c中结晶. 哌啶环整体采用椅子构象。Hirshfeld 表面技术可用于确定分子性质和可视化晶体结构中的分子间关系。利用具有 6-311++G (d,p) 基组的 B3LYP 方法，通过密度泛函理论 (DFT) 计算检查了标记分子的分子构型、轨道前沿理论和热力学特性。在分子对接研究报告中，该化学物质与蛋白质有效结合，具有显着的抗癌特性。
• Novel Non-nucleoside Inhibitors of Human Immunodeficiency Virus Type 1 Reverse Transcriptase. 5. 4-Substituted and 2,4-Disubstituted Analogs of Nevirapine
  作者：Terence A. Kelly、John R. Proudfoot、Daniel W. McNeil、Usha R. Patel、Eva David、Karl D. Hargrave、Peter M. Grob、Mario Cardozo、Atul Agarwal、Julian Adams

  DOI：10.1021/jm00024a011

  日期：1995.11

  Molecular modeling analysis of the recently published X-ray crystal structure of nevirapine bound to wild type human immunodeficiency virus type 1 reverse transcriptase (WT-PT) indicated the presence of a lipophilic cavity proximal to the 4-position of the inhibitor. A series of 4-substituted derivatives of nevirapine were thus synthesized to assess structure-activity relationships (SARs) and to see if increased binding to this region might translate into greater activity against mutant RTs. The results show that compounds with an appropriately spaced aryl ring appended to the 4-position of the dipyridodiazepinone ring system show good activity against WT-RT. Furthermore certain derivatives appear to inhibit the Y181C mutant RT. Attempts to combine these results with the recent discovery that 2-substituents enhance activity against the Y181C mutant led to a few compounds with moderate activity against both enzymes. The SAR of these two positions, however, could not be combined in a simple fashion.
• LI, XING-YA;PAN, HE-QI;JIANG, XI-KUI, TETRAHEDRON LETT., 28,(1987) N 32, 3699-3702
  作者：LI, XING-YA、PAN, HE-QI、JIANG, XI-KUI

  DOI：——

  日期：——
• Access to mixed difluoromethylphosphonates by alkylation of phosphonamidates
  作者：Cyril Lebargy、Rémi Legay、Emmanuel Pfund、Thierry Lequeux

  DOI：10.1016/j.jfluchem.2022.110017

  日期：2022.9