N-benzyl-2,6-diethylaniline | 68950-93-6

• 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: N-benzyl-2,6-diethylaniline
• 英文别名: 2,6-Diaethyl-N-benzyl-anilin
• CAS: 68950-93-6
• 化学式: C₁₇H₂₁N
• 分子量: 239.36
• InChiKey: HVKHAQVPQIHYBP-UHFFFAOYSA-N

物化性质

• 沸点：
  365.5±31.0 °C(Predicted)
• 密度：
  1.017±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 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：

  N-benzyl-2,6-diethylaniline 、 盐酸 生成 N-benzyl-2,6-diethylaniline;hydrochloride
  参考文献：
  名称：

  GOTO, YUKIXISA;MASAMOTO, KADZUXISA

  摘要：

  DOI：
• 作为产物：
  描述：

  2,6-二乙基苯胺 、 苯甲醇 在 C₃₆H₂₅ClN₃O₃PRuS 、 potassium hydroxide 作用下， 以 甲苯 为溶剂， 以78 %的产率得到N-benzyl-2,6-diethylaniline
  参考文献：
  名称：

  高效钌(II)配合物借氢催化胺的N-烷基化和仲醇的β-烷基化

  摘要：

  羰基钌 (II) 与色酮席夫碱配体形成 [RuCl(CO)(EPh 3 )(L)] ( 1 – 4 ) (E = P or As, L = 3-(benzothiazol-2-yl-) hydrazonomethyl-chromen)-4-one (BTHC) 或 3-(quinolin-2-yl-hydrazonomethyl)-chromen-4-one (QHC) 被配制并进行微观分析以及光谱分析（IR、UV-Vis、1 H & 13 C NMR and ESI mass).通过单晶X射线衍射分析研究了配合物3的分子结构.结果表明配合物具有扭曲的八面体几何结构,配体配位为单负三齿 NSO/NNO 时尚。钌配合物 ( 1 – 4) 被筛选为 N-烷基化和 β-烷基化反应的催化剂。值得注意的是，络合物1被发现是一种非常有效且灵活的催化剂，可用于多种伯胺与醇的 N-烷基化。此外，络合物1作为

  DOI：

  10.1016/j.poly.2023.116351

文献信息

• Iron-Catalyzed Oxidative Amination of Benzylic C(sp³)–H Bonds with Anilines
  作者：Yan-Ling Song、Bei Li、Zhen-Biao Xie、Dan Wang、Hong-Mei Sun

  DOI：10.1021/acs.joc.1c02311

  日期：2021.12.17

  Iron-catalyzed oxidative amination of benzylic C(sp3)–H bonds with anilines bearing electron-withdrawing groups (EWGs) or electron-donating groups (EDGs) is realized based on simple variations of N-substituents on imidazolium cations in novel ionic Fe(III) complexes. The structural modification of the imidazolium cation resulted in regulation of the redox potential and the catalytic performance of

  基于新型离子 Fe 中咪唑鎓阳离子上 N 取代基的简单变化，实现了苄基 C(sp 3 )-H 键与带有吸电子基团 (EWG) 或供电子基团 (EDG) 的苯胺的铁催化氧化胺化（三）配合物。咪唑鎓阳离子的结构改性导致氧化还原电位和铁金属中心催化性能的调节。使用DTBP作为氧化剂，[HI t Bu][FeBr 4 ]对带有EWG的苯胺表现出最高的催化活性，而[HIPym][FeBr 4 ]对EDG取代的苯胺更有效。这项工作为苄胺提供了替代途径，同时具有广泛的底物范围和铁催化的优点。
• (IPr)Pd(pydc) (pydc = pyridine-2,6-dicarboxylate) – A highly active precatalyst for the sterically hindered C–N coupling reactions
  作者：Yan-Jing Li、Jin-Ling Zhang、Xiao-Jian Li、Yu Geng、Xiao-Hua Xu、Zhong Jin

  DOI：10.1016/j.jorganchem.2013.03.021

  日期：2013.8

  A new class of well-defined NHC-Pd complexes incorporating a pyridine-2-carboxylate or pyridine-2,6-dicarboxylate ligand has been synthesized. These novel complexes exhibited prominent catalytic activity in the sterically hindered C-N coupling reactions at elevated temperature, but relatively inferior reactivity at low temperature. The distinctly different reactivity of these NHC-Pd complexes was presumed to be associated with their unique structures of ancillary ligands. (C) 2013 Elsevier B.V. All rights reserved.
• Ru(II) complexes containing (2-(pyren-1-ylmethylene)hydrazinyl)benzothiazole: Synthesis, solid-state structure, computational study and catalysis in N-alkylation reactions
  作者：Kaliyappan Murugan、Subbarayan Vijayapritha、Periasamy Viswanathamurthi、Kandasamy Saravanan、Paranthaman Vijayan、Stephen O. Ojwach

  DOI：10.1016/j.ica.2020.119864

  日期：2020.11

  Reactions of (2-(pyren-1-ylmethylene)hydrazinyl)benzothiazole (L) with ruthenium(II) prefabricated precursors [RuHCl(CO)(EPh3)(3)] and [RuH2(CO)(EPh3)(3)] (E = P or As) afforded new Ru(II) complexes [RuCl(CO) (EPh3)(2)(L)] and [RuH(CO)(EPh3)(2)(L)] (E = P or As) (1-4). All the Ru(II) complexes (1-4) were characterized by IR, NMR spectroscopies, ESI-mass spectrometry and elemental analyses. The solid-state structures of Ru(II) complexes (2 and 3) were established by single crystal X-ray analyses and revealed distorted octahedral geometries around the ruthenium(II) ion and mono anionic bidentate N<^>N coordination mode for hydrazine ligand. The Ru(II) complexes 2 and 3 were also analyzed using Hirshfeld surface analysis and DFT calculations. Moreover, all the complexes (1-4) were utilized in the N-alkylation reactions of amines using alcohol. Complex 3 was found to be highly active towards N-alkylation of different aromatic amines with alcohol.
• Terent'ev, A. B.; Yashkina, L. V.; Pastushenko, E. V., Journal of Organic Chemistry USSR (English Translation), 1992, vol. 28, # 5.2, p. 807 - 809
  作者：Terent'ev, A. B.、Yashkina, L. V.、Pastushenko, E. V.、Kruglov, D. E.、Safiulova, G. I.

  DOI：——

  日期：——
• GOTO, YUKIXISA;MASAMOTO, KADZUXISA
  作者：GOTO, YUKIXISA、MASAMOTO, KADZUXISA

  DOI：——

  日期：——