2,4-di(tert-butyl)-6-((pyridine-2-yl)methyleneamino)phenol | 910466-32-9

• 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: 2,4-di(tert-butyl)-6-((pyridine-2-yl)methyleneamino)phenol
• 英文别名: 2-[(pyridin-2-yl)methyleneamino]-4,6-di-tert-butylphenol；2,4-Ditert-butyl-6-(pyridin-2-ylmethylideneamino)phenol
• CAS: 910466-32-9
• 化学式: C₂₀H₂₆N₂O
• 分子量: 310.439
• InChiKey: YHELYIHHBFYODX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  45.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,4-di(tert-butyl)-6-((pyridine-2-yl)methyleneamino)phenol 在 sodium tetrahydroborate 作用下， 反应 2.0h， 生成 2,4-Ditert-butyl-6-(pyridin-2-ylmethylamino)phenol
  参考文献：
  名称：

  Intramolecular Redox-Active Ligand-to-Substrate Single-Electron Transfer: Radical Reactivity with a Palladium(II) Complex

  摘要：

  Coordination of the redox-active tridentate NNO ligand L-H2 to Pd-II yields the paramagnetic iminobenzosemiquinonato complex 3. Single-electron reduction of 3 yields diamagnetic amidophenolato complex 4, capable of activating aliphatic azide 5. Experimental and computational studies suggest a redox-noninnocent pathway wherein the redox-active ligand facilitates intramolecular ligand-to-substrate single-electron transfer to generate an open-shell singlet "nitrene-substrate radical, ligand radical", enabling subsequent radical-type C-H amination reactivity with Pd-II.

  DOI：

  10.1021/ja502164f
• 作为产物：
  描述：

  2,4-二叔丁基苯酚 在 硝酸 、 氯化铵 、 溶剂黄146 、 锌 作用下， 以 乙醇 、 水 为溶剂， 反应 6.0h， 生成 2,4-di(tert-butyl)-6-((pyridine-2-yl)methyleneamino)phenol
  参考文献：
  名称：

  高热稳定的八坐标二氯化锆配合物的三齿[ONN的配体支持：合成，表征和乙烯聚合行为

  摘要：

  一系列新颖的八坐标二氯化锆配合物与一般式L 2的ZrCl 2由两个三齿支撑[ONN]配体已通过的ZrCl的反应合成的4 ·2THF与2当量的相应的配体（三齿苯氧基-亚胺配体的（大号1 ħ -大号4 ħ）或三齿苯氧基-胺配体（大号5 ħ和大号6 ħ））。通过NMR和元素分析这些复合物进行了表征。代表锆的分子结构复合物C2和C6由两个三齿通过单晶X-射线衍射证实和显示，该金属中心是八配位[ONN]配体和在一个扭曲的平方反棱柱几何2和氯化物。当C1 - C6是由改性的甲基（MMAO）激活时，所得到的催化剂显示显着的热稳定性和朝向乙烯聚合的高活性。的配体的取代基，所述金属配位环境，以及反应条件有聚合产生深远的影响。随着聚合温度的催化活性持续增加，并且为1.04×10活性最高6克PE锆（Zr摩尔） -1 ħ -1是在实现Ò二甲苯在140℃下。观察到近5小时的催化寿命为C5 / MMAO催化剂体系在140℃。

  DOI：

  10.1021/om4009636

文献信息

• Improvement in Aluminum Complexes Bearing Schiff Bases in Ring-Opening Polymerization of ε-Caprolactone: A Five-Membered-Ring System
  作者：Chieh-Ling Lee、Ya-Fan Lin、Man-Ting Jiang、Wei-Yi Lu、Jaya Kishore Vandavasi、Li-Fang Wang、Yi-Chun Lai、Michael Y. Chiang、Hsuan-Ying Chen

  DOI：10.1021/acs.organomet.7b00068

  日期：2017.5.22

  series of five- and six-membered-ring Al complexes bearing Schiff bases was synthesized and their application to the ring-opening polymerization of ε-caprolactone (CL) was studied. The five-membered-ring Al complexes have been shown to have a significantly higher polymerization rate than six-membered-ring Al complexes (2–3 fold for CL polymerization). The X-ray data revealed that the Al center of a five-membered-ring

  合成了一系列带有席夫碱的五元环和六元环的铝配合物，并研究了它们在ε-己内酯（CL）的开环聚合中的应用。已显示五元环Al络合物的聚合速率明显高于六元环Al络合物（CL聚合的2至3倍）。X射线数据表明，与六元环Al络合物相比，五元环Al络合物的Al中心离席夫碱配体更远。密度泛函理论计算的结果还表明，五元环Al配合物的Al中心周围有更多空间可以减少CL聚合中的空间排斥，并提高五元环Al配合物的催化活性。
• A chloro bridged Cu(II)–Cu(II) complex of a new aminophenol ligand: Magnetostructural, radical decay kinetic studies, highly efficient and aerial alcohol oxidation
  作者：S. Esmael Balaghi、Elham Safaei、Mohammad Rafiee、Mohammad Hossein Kowsari

  DOI：10.1016/j.poly.2012.07.096

  日期：2012.10

  A new tripodal aminophenol-based ligand containing a pyridine unit was synthesized and characterized by IR and H-1 NMR spectroscopic techniques. A dimeric copper(II) complex of this ligand was prepared and characterized by X-ray crystallography, DFT calculations, spectroscopic techniques and magnetic susceptibility measurements. X-ray analysis revealed a complex in which one phenolate, and amine and imine nitrogens of the ligand are arranged in a distorted square pyramidal geometry (SP) around the copper ions. Two chloride bridges hold both copper atoms together to form the binuclear [(LCuCl)-Cu-Aph](2) complex. This complex exhibits nearly no superexchange coupling between the copper centers. The phenolate moieties of the copper complex were electrochemically oxidized to phenoxyl radical cations [(LCuCl)-Cu-Aph](2)(center dot+). The decay kinetics of the mentioned radical were investigated using a simulation of the voltammogram data. In addition, highly efficient and eco-friendly oxidation of alcohols to aldehydes was achieved with molecular oxygen or air as the oxidant and the [(LCuCl)-Cu-Aph](2)-Cs2CO3 system as a catalyst. (c) 2012 Elsevier Ltd. All rights reserved.