2,6-bis[1-(4-tert-butylphenylimino)ethyl]pyridine | 226721-89-7

• 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: 2,6-bis[1-(4-tert-butylphenylimino)ethyl]pyridine
• 英文别名: 2,6-bis[1-(4-t-butylphenylimino)ethyl]pyridine；pyridine-2,6-di(C(CH3)NC6H4C(CH3)3)；2,6-Bis-[1-(4-tert-butylphenylimino)-ethyl]pyridine；N-(4-tert-butylphenyl)-1-[6-[N-(4-tert-butylphenyl)-C-methylcarbonimidoyl]pyridin-2-yl]ethanimine
• CAS: 226721-89-7
• 化学式: C₂₉H₃₅N₃
• 分子量: 425.617
• InChiKey: HHLNCWXDFHQXJG-UHFFFAOYSA-N

物化性质

• 沸点：
  532.6±50.0 °C(Predicted)
• 密度：
  0.98±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.9
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  37.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,6-bis[1-(4-tert-butylphenylimino)ethyl]pyridine 在 ClCH₂CH₂Cl 作用下， 以 乙醇 、 正戊烷 为溶剂， 生成
  参考文献：
  名称：

  具有2,6-吡啶基-二亚胺配体的钌（II）配合物：环氧化反应中的合成，表征和催化活性

  摘要：

  将[RuCl的反应2（p -cymene）] 2与三齿Ñ - ñ ' - ñ配体，2,6-二吡啶基二亚胺，导致了替代p -cymene。所得配合物据信是配位不饱和的，在碘代苯（PhIO）的存在下对环己烯的环氧化表现出有效的活性：最初形成的配合物吸收供体分子（如乙腈）以实现六配位。这些（乙腈）{2，6-双[1-（4-甲氧基苯基亚氨基）乙基]吡啶}二氯钌（II）2的分子结构已经通过X射线衍射测定。即时协调范围是扭曲的八面体，具有反式氯原子和一个短的Ru–N（py）（1.906Å）键。

  DOI：

  10.1016/s1381-1169(98)00285-4
• 作为产物：
  描述：

  2,6-二乙酰基吡啶 、 4-叔丁基苯胺 在 甲酸 、 sodium sulfate 作用下， 以 二氯甲烷 为溶剂， 反应 48.0h， 以79%的产率得到2,6-bis[1-(4-tert-butylphenylimino)ethyl]pyridine
  参考文献：
  名称：

  Redox non-innocent bis(2,6-diimine-pyridine) ligand–iron complexes as anolytes for flow battery applications

  摘要：

  减少、重复利用、回收：‘非惯性’二亚胺-吡啶配体（DIP）的配位络合物被证明是稳定的、多电子阳极材料，可用于流动电池。

  DOI：

  10.1039/c7dt03915h

文献信息

• Mono- and binuclear ruthenium(II) complexes containing pyridine-2,6-diimine (Pydim) ligands: Synthesis, characterization and catalytic activity in the transfer hydrogenation of acetophenone
  作者：Osman Dayan、Bekir Çetinkaya

  DOI：10.1016/j.molcata.2007.02.026

  日期：2007.6

  (2) L = NCMe; (3) L = PPh3) and [PydimCl2Ru(L-L)RuCl2Pydim] (4) L-L = pyrazine; (5) L-L = 4,4′-bipyridine) have been synthesized from the corresponding (p-cymene)ruthenium dichloride dimer, pydim and ancillary ligands L and L-L, respectively. The Pydim-Ru(II) complexes have been employed as catalysts for the transfer hydrogenation of acetophenone in the presence of KOH using 2-propanol as a hydrogen

  一系列中性的单核和双核Ru（II）配合物：[PydimCl 2 RuL]（Pydim（1）吡啶-2,6-二亚胺；（2）L = NCMe；（3）L = PPh 3）和[PydimCl 2 Ru（LL）RuCl 2 Pydim]（4）LL =吡嗪；（5）LL = 4,4'-联吡啶是由相应的（p-cymene）二氯化钌二聚体，pydim和辅助配体L和LL。Pydim-Ru（II）配合物已被用作催化剂，在KOH存在下，使用2-丙醇作为氢源，进行苯乙酮的转移加氢反应。配体取代研究表明，含有L / LL和Pydim的复合物之间的反应性存在显着差异。在82°C下放置5分钟后，产率高达93％。
• Synthesis and dynamic NMR studies of stereochemical non-rigidity in rhenium(I) complexes of 2,6-bis[1-(phenylimino)ethyl]pyridine derivatives
  作者：Juan Granifo、Steven J Bird、Keith G Orrell、Anthony G Osborne、Vladimir Šik

  DOI：10.1016/s0020-1693(99)00306-0

  日期：1999.11

  The complexes fac-[ReCl(CO)(3)L] [L=ortho or para substituted methyl or 'butyl aromatic derivatives of 2,6-bis[1-(phenylimino)ethyl]pyridine (BIP)] were synthesised. In solution all complexes exist as bis-imine E,E and E,Z isomers, with the former greatly predominating (>85% in most cases). 1,4-Metallotropic shifts of the ReCl(CO)(3) moiety between the ligand N donor pairs occur in all cases. In the H-1 NMR spectra of the methyl- and the para-Bu-t aromatic derivatives of BIP these shifts were detected as exchange between equivalent E,E forms of the complexes. In the case of the ortho-Bu-t derivative, where the E,Z-isomer was more in evidence (21% at 303 K), E,E reversible arrow E,Z isomerisation occurs rather more readily than the accompanying metallotropic shifts. Rates and activation energies for the detected dynamic processes were based on NMR bandshape analysis. The results indicated that Me and Bu-t substitution of the phenyl rings in BIP had a negligible effect on the Re-t-N 1,4-metallotropic shifts, whereas ortho substitution of the rings, particularly by Bu-t had a considerable influence on the relative proportions of E,E and E,Z conformers, presumably because of steric effects. (C) 1999 Elsevier Science S.A. All rights reserved.
• Palladium(II) Complexes Containing 2,6-Bis(Imino)Pyridines: Synthesis, Characterization, Thermal Study, and Catalytic Activity in Suzuki Reactions
  作者：Osman Dayan、Fatih Doĝan、İsmet Kaya、Bekir Çetinkaya

  DOI：10.1080/15533174.2010.486822

  日期：2010.5.28

  A series of palladium complexes: [(Pydim)PdCl](PdCl3) (Pydim (1): pyridine-2,6-diimine) have been synthesized from palladium dichloride and the corresponding pydim. The Pd (II) complexes have been used as catalyst in the Suzuki reaction of aryl halides. Moreover, thermal behaviors of palladium complexes have been studied in nitrogen atmosphere using TG/DTG and DTA techniques. The values of activation energy Ea, and reaction order n, the entropy change S*, enthalpy change H#, and Gibbs free energy change G# of the thermal decomposition were calculated by means of several methods based on the single heating rate.