N,N'-bis(3-tert-butyl-5-methoxy-2-hydroxyphenylmethyl)-N,N'-dimethylethylenediamine | 1305347-30-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: N,N'-bis(3-tert-butyl-5-methoxy-2-hydroxyphenylmethyl)-N,N'-dimethylethylenediamine
• 英文别名: LigH2；2-Tert-butyl-6-[[2-[(3-tert-butyl-2-hydroxy-5-methoxyphenyl)methyl-methylamino]ethyl-methylamino]methyl]-4-methoxyphenol；2-tert-butyl-6-[[2-[(3-tert-butyl-2-hydroxy-5-methoxyphenyl)methyl-methylamino]ethyl-methylamino]methyl]-4-methoxyphenol
• CAS: 1305347-30-1
• 化学式: C₂₈H₄₄N₂O₄
• 分子量: 472.668
• InChiKey: LBXDHANJCZXKRE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  34
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  65.4
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N,N'-bis(3-tert-butyl-5-methoxy-2-hydroxyphenylmethyl)-N,N'-dimethylethylenediamine 以 甲苯 为溶剂， 生成 [(N,N'-bis(3-tert-butyl-5-methoxy-2-hydroxyphenylmethyl)-N,N'-dimethylethylenediamine(-2H))Zr(CH2Ph)][PhCH2B(C6F5)3]
  参考文献：
  名称：

  烯烃聚合用双（苯氧基胺）锆催化剂溶液的结构和动力学

  摘要：

  两种双（苯氧基-胺）ZrR 2预催化剂的活性（双（苯氧基-胺）= N，N '-（3- t Bu-5-OMe-2-C 6 H 2 OCH 2）2 - N，N '-Me 2-（NCH 2 CH 2 N）; R = Me（1），Bn（2，苄基）对丙烯的聚合反应已使用不同的活化剂和助催化剂进行了评估：MAO，MAO / TBP，B（C 6 F 5）3 / TIBA和[CPh 3 ] [B（C 6 F 5）4 ] / TIBA（MAO =甲基铝氧烷，TBP = 2,6-二叔丁基苯酚，TIBA =三异丁基铝）。发现活化剂的性质仅在很小程度上影响活性。在溶液中，DFT计算的NMR研究3A - Ç和4A - Ç（一个，MEB（C 6 ˚F 5）3 - ; b，泡泡堂（C 6 ˚F 5）3 - ; Ç，B（C 6 ˚F 5）4 –）离子对源自激活过程图1和图2分别表明可以形成三种异构体。它们全部在第二配位域

  DOI：

  10.1021/om2001926
• 作为产物：
  描述：

  叔丁基对羟基茴香醚 、 N,N'-二甲基乙二胺 在 聚合甲醛 作用下， 生成 N,N'-bis(3-tert-butyl-5-methoxy-2-hydroxyphenylmethyl)-N,N'-dimethylethylenediamine
  参考文献：
  名称：

  TEMPO介导的以双酚二胺配体的铜（II）配合物为半乳糖氧化酶仿生模型的酒精好氧氧化

  摘要：

  合成并表征了四齿N 2 O 2双（酚）二胺配体（H 2 L NEX X：C和OB，其中C和OB为氯和苯酚基上的叔丁基甲氧基取代基）的单核铜配合物。通过IR，UV-Vis，单晶X射线衍射，磁化率研究和循环伏安技术进行。CuL NEX配合物显示配位球的方锥几何形状，铜中心被配位配体和轴向结合的水分子中的两个氮和氧原子包围。1.7和1.8 BM的有效磁矩证实了具有铜（II）中心的单体配合物。这些络合物的电化学氧化产生相应的Cu（II）-苯氧基基团。另外，CuL NEX配合物在室温下在分子氧作为氧化剂存在下，对TEMPO介导的一组醇氧化为相应的醛显示出有效的催化活性。

  DOI：

  10.1016/j.poly.2015.11.003

文献信息

• Valence tautomerism in catecholato cobalt Bis(phenolate) diamine complexes as models for Enzyme–substrate adducts of catechol dioxygenases
  作者：Yalda Sheybani Pour、Elham Safaei、Andrzej Wojtczak、Zvonko Jagličić

  DOI：10.1016/j.poly.2020.114620

  日期：2020.9

  Mononuclear cobalt(III) complexes of 3,5-di-tert-butylcatecholato cobalt complex of the substituted bis(phenol) diamine ligands of H2LNEX (CoLNEX(DTBC) which X: BM, Bu and OB stands for 2-(tert-butyl)-4-methyl, 2,4-di-tert-butyl and 2-(tert-butyl)-4-methoxy phenols, respectively, and DTBC is an abbreviation for 2,4-di-tert-butylcatechol, as models for enzyme-substrate adducts of catechol dioxygenases, have been

  磁矩确定了钴配合物的单体结构以及Co（II）和Co（III）氧化态之间的价互变异构现象。晶体结构证实了Co（II）/ Co（III）特性的性质与磁性实验一致。在两个配合物的电子吸收光谱中，LMCT谱带的位置显示了酚盐（π）到Co（II）或Co（III）（dπ*）的电荷转移。循环伏安法研究表明，酚盐基团的配体中心氧化为苯氧基。
• Iron(III) complexes of ethylenediamine derivatives of aminophenol ligands as models for enzyme–substrate adducts of catechol dioxygenases
  作者：Touraj Karimpour、Elham Safaei、Andrzej Wojtczak、Zvonko Jagličić、Anna Kozakiewicz

  DOI：10.1016/j.ica.2012.10.015

  日期：2013.1

  In the present work, six N,N'-dimethylethylenediamine derivatives of substituted aminophenol ligands (H2LNEX, X: C, B, M, BM, Bu and OB) were synthesized by a convenient, green procedure. The mentioned ligands were characterized by H-1 NMR and IR spectroscopies. iron complexes (FeLNEX, X: C, B, M, BM, Bu and OB) of mentioned ligands, have been synthesized and characterized by IR, UV-Vis, elemental analysis, single crystal X-ray diffraction, magnetic susceptibility studies and cyclic voltammetry techniques. X-ray structure analysis has revealed that Fe(III) centers were surrounded by two phenolates, two amine nitrogens and two oxygen atoms of acetylacetonate ligand similar to the proposed catechol-bound intermediate for catechol dioxygenase. The variable temperature magnetic susceptibility indicates paramagnetic iron(III) in monomer complexes. All complexes undergo a metal-centered reduction, and a ligand-centered oxidation. (C) 2012 Elsevier B. V. All rights reserved.
• New mixed-ligand 8-hydroxyquinolinato iron(III) complexes of dimethylethylenediamine-based aminophenol ligands
  作者：Elham Safaei、Narges Naghdi、Andrzej Wojtczak、Zvonko Jagličić

  DOI：10.1016/j.poly.2016.01.049

  日期：2016.4

  Four new mixed ligand iron(III) complexes of N,N'-dimethylethylenediamine based bis(phenol) di-amine (H2LNER) and 8-hydroxyquinoline (HQ) ligands have been synthesized and characterized by spectroscopic methods, X-ray diffraction, magnetic susceptibility measurements and cyclic voltammetry techniques. X-ray structure analysis revealed iron complexes with monoclinic or triclinic structures in which the H2LNEX and HQ ligands are coordinated to the Fe(III) center. The variable temperature magnetic susceptibility indicated a paramagnetic iron(III) center in the complexes. Electrochemical studies of the complexes with cyclic voltammetry showed cathodic peaks corresponding to an Fe-III to Fe-II reduction. An anodic peak was found that corresponded to phenolate ligand oxidation to phenoxyl radicals in the positive potential regions. To the best of our knowledge, synthesis reports on mixed-ligand 8-hydroxyquinolinato iron(III) complexes are very rare. (C) 2016 Elsevier Ltd. All rights reserved.
• New mixed-ligand salicylaldehyde complexes of Mn(III) bis(phenol) di-amine: Synthesis, electronic and magnetic properties
  作者：Leila Hajikhanmirzaei、Elham Safaei、Andrzej Wojtczak、Zvonko Jagličić

  DOI：10.1016/j.ica.2015.02.025

  日期：2015.5

  A series of novel salicylaldehyde (Sal) mixed ligand Mn(III) complexes of MnLNEX(Sal) containing bis(phenol) diamine ligands (H2LNEX), have been prepared and their spectroscopic (IR, UV-Vis, ESI-MS), X-ray, magnetic and redox properties have been investigated. The X-ray crystallography analysis shows that all complexes are monomeric and every Mn(III) center is surrounded by four-dentate ligand and salicylaldehyde molecule. In addition, the geometric configurations of all complexes are slightly distorted octahedral. The temperature dependence of magnetic susceptibility of complexes confirms the mononuclear structure of complexes. Oxidation of the Mn(III) complexes yielded the corresponding Mn(III)-phenoxyl radical species during the cyclic voltammetry experiments. To the best of our knowledge, this is one the rare reports on salicylaldehyde coordination to manganese. (C) 2015 Elsevier B.V. All rights reserved.
• TEMPO-mediated aerobic oxidation of alcohols using copper(II) complex of bis(phenol) di-amine ligand as biomimetic model for Galactose oxidase enzyme
  作者：Elham Safaei、Leila Hajikhanmirzaei、Babak Karimi、Andrzej Wojtczak、Patricia Cotič、Yong-Ill Lee

  DOI：10.1016/j.poly.2015.11.003

  日期：2016.2

  coordination sphere with the copper centers surrounded by two nitrogen and oxygen atoms from the coordinating ligand and an axially bound water molecule. The effective magnetic moments of 1.7 and 1.8 BM confirm a monomer complex with copper(II) center. Electrochemical oxidation of these complexes yielded the corresponding Cu(II)-phenoxyl radical species. In addition, CuLNEX complexes, have shown efficient

  合成并表征了四齿N 2 O 2双（酚）二胺配体（H 2 L NEX X：C和OB，其中C和OB为氯和苯酚基上的叔丁基甲氧基取代基）的单核铜配合物。通过IR，UV-Vis，单晶X射线衍射，磁化率研究和循环伏安技术进行。CuL NEX配合物显示配位球的方锥几何形状，铜中心被配位配体和轴向结合的水分子中的两个氮和氧原子包围。1.7和1.8 BM的有效磁矩证实了具有铜（II）中心的单体配合物。这些络合物的电化学氧化产生相应的Cu（II）-苯氧基基团。另外，CuL NEX配合物在室温下在分子氧作为氧化剂存在下，对TEMPO介导的一组醇氧化为相应的醛显示出有效的催化活性。