2,2,6,6-四甲基-4-亚甲基哌啶 | 137003-49-7

• 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: 2,2,6,6-四甲基-4-亚甲基哌啶
• 英文名称: 2,2,6,6-tetramethyl-4-methylenepiperidine
• 英文别名: 4-methylene-2,2,6,6-tetramethylpiperidine；2,2,6,6-tetramethyl-4-methylidenepiperidine
• CAS: 137003-49-7
• 化学式: C₁₀H₁₉N
• 分子量: 153.268
• InChiKey: XLISNDFVWLZXMW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2,2,6,6-四甲基-4-亚甲基哌啶 在 5%-palladium/activated carbon 、 氢气 作用下， 25.0 ℃ 、5.0 MPa 条件下， 反应 12.0h， 以90%的产率得到2,2,4,6,6-五甲基哌啶
  参考文献：
  名称：

  用于芳烃和杂芳烃化学选择性金属化的新型混合锂/镁和锂/镁/锌酰胺

  摘要：

  新的混合 Li/Mg 和 Li/Mg/Zn 酰胺已从易于制备的仲胺开始合成。它们允许各种多官能芳烃和杂芳烃的高度化学选择性定向镁化或锌化。这些新碱的动力学碱度、溶解度和稳定性与相应的 2,2,6,6-四甲基哌酰胺衍生碱进行了比较。 (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009 )

  DOI：

  10.1002/ejoc.200801277
• 作为产物：
  描述：

  四甲基哌啶酮 、 甲基三苯基碘化膦 在 正丁基锂 作用下， 反应 3.0h， 以76%的产率得到2,2,6,6-四甲基-4-亚甲基哌啶
  参考文献：
  名称：

  用于芳烃和杂芳烃化学选择性金属化的新型混合锂/镁和锂/镁/锌酰胺

  摘要：

  新的混合 Li/Mg 和 Li/Mg/Zn 酰胺已从易于制备的仲胺开始合成。它们允许各种多官能芳烃和杂芳烃的高度化学选择性定向镁化或锌化。这些新碱的动力学碱度、溶解度和稳定性与相应的 2,2,6,6-四甲基哌酰胺衍生碱进行了比较。 (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009 )

  DOI：

  10.1002/ejoc.200801277

文献信息

• Ligand‐Enabled Catalytic CH Arylation of Aliphatic Amines by a Four‐Membered‐Ring Cyclopalladation Pathway
  作者：Chuan He、Matthew J. Gaunt

  DOI：10.1002/anie.201508912

  日期：2015.12.21

  palladium‐catalyzed CH arylation of aliphatic amines with arylboronic esters is described, proceeding through a four‐membered‐ring cyclopalladation pathway. Crucial to the successful outcome of this reaction is the action of an amino‐acid‐derived ligand. A range of hindered secondary amines and arylboronic esters are compatible with this process and the products of the arylation can be advanced to

  描述了钯催化的脂肪族胺与芳基硼酸酯的CH芳基化，并通过四元环环钯途径进行。该反应成功的关键是氨基酸衍生的配体的作用。一系列受阻的仲胺和芳基硼酸酯与该方法相容，并且芳基化的产物可以通过连续的CH活化反应推进为复杂的多环分子。
• A novel series of tetrahydrothieno[2,3-<i>c</i>]pyridin-2-yl derivatives: fluorescence spectroscopy and BSA binding, ADMET properties, molecular docking, and DFT studies
  作者：Goncagül Serdaroğlu、Nesimi Uludag、Elvan Üstün、Naki Colak

  DOI：10.1039/d3nj01648j

  日期：——

  spectroscopic methods were used to verify the structures of all the synthesized compounds (FT-IR, UV, 1H NMR, and 13C NMR). Additionally, the binding properties of the molecules with serum albumin were analyzed as a function of concentration and temperature and in the presence of Mg2+, Zn2+, and Ca2+. Moreover, molecular docking calculations were performed against bovine serum albumin, human leukemia inhibitory

  在这项研究中，一系列取代的四氢噻吩并 [2,3- c ] 吡啶-2-基 (THTP) 衍生物，即C1 –C3和N1–N3，使用 2-amino-5,5 一步合成， 7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3- c ]pyridine-3-carbonitrile，具有两个不同的相邻氯代和硝基取代基团。具体来说，通过噻吩结构上的腈基，六个新的 THTP（C1-C3和N1-N3)-轴承供电子吸电子部分被设计成具有各种药理学特性。在文献中首次以更少的步骤高效地合成了这些目标药物产品。具体来说，该协议的显着特点是其简单性和高反应产率。此外，使用光谱方法验证所有合成化合物的结构（FT-IR、UV、1 H NMR 和13 C NMR）。此外，还分析了分子与血清白蛋白的结合特性随浓度和温度的变化以及在 Mg 2+、Zn 2+和 Ca 2+存在下的变化. 此外
• PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT
  申请人：JNC Corporation

  公开号：EP3072885A1

  公开（公告）日：2016-09-28

  To provide a compound having an effect for preventing photolysis of a liquid crystal composition, and having a high solubility in the liquid crystal composition, a liquid crystal composition containing the compound, and a liquid crystal display device including the composition. The compound is represented by formula (1), the liquid crystal composition contains the compound, and the liquid crystal display device includes the composition. In formula (1), R1, R2, R3 and R4 are independently hydrogen or alkyl having 1 to 4 carbons; ring A1 and ring A2 are independently 1,4-cyclohexylene, 1,4-phenylene or the like; Z1, Z2 and Z3 are independently a single bond, alkylene or the like; and n is 0, 1 or 2.

  提供一种具有防止液晶组合物光解作用且在液晶组合物中具有高溶解度的化合物、一种含有该化合物的液晶组合物以及一种包括该组合物的液晶显示设备。该化合物由式（1）表示，液晶组合物含有该化合物，液晶显示设备包括该组合物。 在式 (1) 中，R1、R2、R3 和 R4 独立地为氢或具有 1 至 4 个碳原子的烷基；环 A1 和环 A2 独立地为 1,4-环己烯、1,4-亚苯基或类似物；Z1、Z2 和 Z3 独立地为单键、亚烷基或类似物；n 为 0、1 或 2。
• INDOLE COMPOUNDS AS EZH2 INHIBITORS AND USES THEREOF
  申请人：Dana-Farber Cancer Institute, Inc.

  公开号：EP3885343A1

  公开（公告）日：2021-09-29

  The present disclosure provides compounds of Formula (II). The compounds described herein are inhibitors of histone methyltransferases (e.g., enhancer of zeste homolog 1 (EZH1) and enhancer of zeste homolog 2 (EZH2)) and are useful in treating and/or preventing a broad range of diseases (e.g., proliferative diseases). Also provided in the present disclosure are pharmaceutical compositions, kits, methods, and uses including or using a compound described herein. Further provided in the present disclosure are methods of identifying EZH1 and/or EZH2 inhibitors.

  本公开提供了式（II）化合物。 本文所述化合物是组蛋白甲基转移酶（如泽斯特同源增强子 1 (EZH1) 和泽斯特同源增强子 2 (EZH2)）的抑制剂，可用于治疗和/或预防多种疾病（如增殖性疾病）。本公开还提供了包括或使用本文所述化合物的药物组合物、试剂盒、方法和用途。本公开还提供了鉴定EZH1和/或EZH2抑制剂的方法。
• Mixed aggregation of lithium enolates and lithium halides with lithium 2,2,6,6-tetramethylpiperidide (LiTMP)
  作者：Patricia L. Hall、James H. Gilchrist、Aidan T. Harrison、David J. Fuller、David B. Collum

  DOI：10.1021/ja00025a024

  日期：1991.12

  Li-6 and N-15 NMR spectroscopic studies of [Li-6]-LiTMP and [Li-6,N-15]-LiTMP support an earlier suggestion that LiTMP exists as a dimer-monomer mixture in THF. In the presence of [Li-6]-lithium cyclohexenolate as a representative enolate, one observes mixed aggregates with 2:1, 1:1, and 2:2 LiTMP/enolate stoichiometries. Evidence of conformational isomerism is observed in the slow-exchange limit. Studies of conformationally mobile [Li-6]-lithium di-tert-butylamide and conformationally locked [Li-6]-lithium 2,2,4,6,6-pentamethylpiperidide shed further light on the spectroscopic consequences of the chair form of the piperidine ring system. The corresponding studies of LiTMP/LiBr mixtures reveal the predominance of a 1:1 mixed aggregate, a lower propensity to form 2:1 mixed aggregates than the analogous lithium enolate case, and no tendency whatsoever to form 2:2 mixed aggregates. LiTMP/LiCl mixtures appear to contain two conformational isomers of the 2:1 stoichiometry analogous to the LiTMP enolate case as well as a 1:1 mixed aggregate in the limit of high LiCl concentration. Severe spectral overlaps and several unassigned resonances render the LiTMP-LiCl mixed aggregate structure assignments the most tentative.