2,6-Bis-[1-(3,5-di-tert-butylphenylimino)-ethyl]pyridine | 1326217-95-1

• 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: 2,6-Bis-[1-(3,5-di-tert-butylphenylimino)-ethyl]pyridine
• 英文别名: N-(3,5-ditert-butylphenyl)-1-[6-[N-(3,5-ditert-butylphenyl)-C-methylcarbonimidoyl]pyridin-2-yl]ethanimine
• CAS: 1326217-95-1
• 化学式: C₃₇H₅₁N₃
• 分子量: 537.832
• InChiKey: NQWMPHPGWBXLSF-UHFFFAOYSA-N

物化性质

• 沸点：
  591.7±50.0 °C(Predicted)
• 密度：
  0.95±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  11.2
• 重原子数：
  40
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.49
• 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：

  iron(II) chloride tetrahydrate 、 2,6-Bis-[1-(3,5-di-tert-butylphenylimino)-ethyl]pyridine 以 甲醇 为溶剂， 反应 8.0h， 生成
  参考文献：
  名称：

  Iron(II) complexes containing the 2,6-bis-iminopyridyl moiety. Synthesis, characterization, reactivity, and DNA binding

  摘要：

  Two iron(II) complexes, [Fe-II(py(t)BuN(3))(2)](FeCl4) (1) and [Fe-II(py(t)BuMe(2)N(3))Cl-2] (2), with sterically constrained py(t)BuN(3) and py(t)BuMe(2)N(3) chelate ligands (py(t)BuN(3)=2,6-bis-(aldiimino)pyridyl; py(t)BuMe(2)N(3)=2,6-bis-(ketimino)pyridyl), have been synthesized and characterized by elemental analysis, IR, UV-vis spectra, and preliminary X-ray single-crystal diffraction. The latter revealed that Fe(II) in 1 is six-coordinate by six nitrogen donors from two bisiminopyridines in a distorted octahedron. Complex 2 reacts with thiourea with a second-order rate constant k(2)=(2.50 +/- 0.05)x10(-3)M(-1)s(-1) at 296K, and the reaction seemed to be slow. In a similar way, the interaction of 2 and DNA was studied by fluorescence and absorption spectroscopy. The results revealed that 2 caused fluorescence quenching of DNA through a dynamic quenching procedure. The binding constants K-A, K-app, and K-SV as well as the number of binding sites between 2 and DNA were determined.

  DOI：

  10.1080/00958972.2015.1031656
• 作为产物：
  描述：

  2,6-二乙酰基吡啶 、 3,5-二叔丁基苯胺 以 甲醇 为溶剂， 反应 6.0h， 以96%的产率得到2,6-Bis-[1-(3,5-di-tert-butylphenylimino)-ethyl]pyridine
  参考文献：
  名称：

  含有 2,6-双（亚氨基）吡啶基配体的铜 (II) 配合物的结构和催化方面

  摘要：

  新的五配位三角-双锥体铜 (II) 配合物 [CuII(py tBuMe2N3)Cl2] (1) 的合成、结构和配体取代机制，具有空间受限的 py tBuMe2N3 螯合配体，py tBuMe2N3 = 2，报道了 6-双-(酮亚氨基)吡啶基。详细研究了硫脲取代氯化物的动力学和机理，作为亲核试剂浓度、温度和压力的函数，并与早期报道的类似配合物 [CuII(py tBuN3)Cl2] (2) [py tBuN3 = 2,6-双-(醛亚氨基)吡啶]。研究了 1 和 2 催化 3,5-二叔丁基邻苯二酚氧化为 3,5-二叔丁基醌。确定了两种配合物的反应性、氯化物取代行为和还原电位之间的相关性。这些表明氧化速率与氯化物取代速率无关，表明作为底物的儿茶酚取代氯化物发生在快速步骤中。光谱数据显示配合物氧化 3,5-DTBC 的能力与其铜 (II) 中心的路易斯酸度之间存在非线性关系。电化学数据表明，最有效的复合物

  DOI：

  10.1080/00958972.2012.695017

文献信息

• Bis(arylimino)pyridine iron(III) complexes as catalyst precursors for the oligomerization and polymerization of ethylene
  作者：Christian Görl、Tanja Englmann、Helmut G. Alt

  DOI：10.1016/j.apcata.2011.06.010

  日期：2011.6

  containing either electron withdrawing or electron donating substituents in their ligand frameworks was synthesized and characterized. After activation with methylaluminoxane (MAO), these catalysts oligomerize or polymerize ethylene to give both linear and branched products. In contrast to iron(II) complexes, the presence of at least one ortho-substituent at the iminophenyl rings is not obligative for catalytic

  合成并表征了一系列26种双（芳基）吡啶铁（III）配合物，这些配合物在其配体骨架中包含吸电子或供电子取代基。用甲基铝氧烷（MAO）活化后，这些催化剂使乙烯低聚或聚合，得到直链和支链产物。与铁（II）配合物相反，在亚氨基苯基环上存在至少一种邻位取代基对于铁（III）配合物的催化活性不是强制性的。含有间位和对位取代的双（芳基吡啶）吡啶化合物的这类铁（III）配合物很容易获得，并且它们的低聚行为表明与众所周知的铁（II）类似物存在有趣的差异，因为在烯烃中同时发现了内部和分支烯烃。预期的直链α-烯烃以外的产物混合物。
• Iron(III) complexes with meta-substituted bis(arylimino)pyridine ligands: Catalyst precursors for the selective oligomerization of ethylene
  作者：Christian Görl、Nadine Beck、Katharina Kleiber、Helmut G. Alt

  DOI：10.1016/j.molcata.2011.10.011

  日期：2012.1

  Bis(arylimino)pyridine iron(III) complexes containing meta-halogen substituents at the iminophenyl rings were synthesized and characterized. In contrast to iron(II) complexes, the presence of at least one ortho-substituent at the iminophenyl rings is not obligative for catalytic activities of these iron(III) complexes. After activation with methylaluminoxane (MAO), these catalysts oligomerize ethylene to give also internal and branched olefins besides the expected linear alpha-olefins. The widths of the resulting molecular weight distributions and the degrees of isomerization of the resulting oligomers strongly depend on the substitution pattern at the ligand frameworks. (C) 2011 Elsevier B.V. All rights reserved.