N-(3,5-di-tert-butyl-2-hydroxybenzyl)-N,N-bis(2-pyridylmethyl)amine | 278606-62-5

• 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-(3,5-di-tert-butyl-2-hydroxybenzyl)-N,N-bis(2-pyridylmethyl)amine
• 英文别名: [Bis(2-pyridylmethyl)(3,5-di-tert-butyl-2-hydroxybenzyl)amine]；2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4,6-ditert-butylphenol
• CAS: 278606-62-5
• 化学式: C₂₇H₃₅N₃O
• 分子量: 417.594
• InChiKey: KZDFCSGDQVSVBE-UHFFFAOYSA-N

物化性质

• 沸点：
  489.4±40.0 °C(Predicted)
• 密度：
  1.082±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  49.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-(3,5-di-tert-butyl-2-hydroxybenzyl)-N,N-bis(2-pyridylmethyl)amine 以 正己烷 、 甲苯 为溶剂， 生成 [(bis(2-picolyl)(2-oxy-3,5-di-tert-butylbenzyl)amide)AlI2]
  参考文献：
  名称：

  Synthesis and Reactivity of Metal Complexes Supported by the Tetradentate Monoanionic Ligand Bis(2-picolyl)(2-hydroxy-3,5-di-tert-butylbenzyl)amide (BPPA)

  摘要：

  Metal-halide complexes of Ti, V, Y, Zr, Al, Ga, and U supported by the tetradentate monoanionic (TIDMA) ligand bis(2-picolyl)(2-hydroxy-3,5-di-tert-butylbenzyl)amine, H(BIPPA), were synthesized and spectroscopically characterized. In addition, the complexes (BPPA)TiCl2, (BPPA)VBr2, [(BPPA)YCl2](2), (BPPA)GaCl2, (BPPA)GaCl2, and (BPPA)Ul(3) were characterized by single-crystal X-ray crystallography. In all cases the ligand is bound K-4 to the metal center. All structurally characterized compounds are monomeric in the solid-state with the exception of [(BPPA)YCl2](2), which exists as a dimer in the solid-state. The metal-alkyl complexes (BPPA)AIMe(2) and (BPPA)Zr(CH2Ph)(3) were also synthesized and characterized, and an X-ray structure of (BPPA)Zr(CH2Ph)3 was obtained. The transformation of BPPA from a monoanionic to a dianionic ligand via proton abstraction was observed and monitored by NMR spectroscopy.

  DOI：

  10.1021/ic700775k
• 作为产物：
  描述：

  二甲基吡啶胺 、 3,5-di-tert-butyl-2-hydroxybenzyl bromide 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 以85%的产率得到N-(3,5-di-tert-butyl-2-hydroxybenzyl)-N,N-bis(2-pyridylmethyl)amine
  参考文献：
  名称：

  Mononuclear iron(III) complexes supported by tripodal N3O ligands: Synthesis, structure and reactivity towards DNA cleavage

  摘要：

  A new synthetic route to the known tripodal tetradentate N3O ligand L-1 (HL1 = [N-(3,5-di-tert-butyl-2-hydroxybenzyl)-N,N-di-(2-pyridylmethyl)]amine) is reported. The related compounds HLn (n = 2, 3) were prepared by a similar procedure. Treatment of HLn (n = 1-3) with FeCl3 center dot 6H(2)O in hot methanol led to the mononuclear iron(III) complexes [Fe(Ln)Cl-2] (1: n = 1, 2: n = 2, 3: n = 3). The solid-state structures of complexes 1 and 2 were determined by X-ray crystallography. [Fe(L-1)Cl-2] (1) showed effective nuclease activity in the presence of hydrogen peroxide, converting supercoiled plasmid DNA to its linear form. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2009.12.039

文献信息

• Zinc and enolato-magnesium complexes based on bi-, tri- and tetradentate aminophenolate ligands
  作者：Zhanjiang Zheng、Gang Zhao、Rémy Fablet、Miloud Bouyahyi、Christophe M. Thomas、Thierry Roisnel、Osvaldo Casagrande Jr、Jean-François Carpentier

  DOI：10.1039/b812754a

  日期：——

  The coordination chemistry of a series of potentially tetra-, tri- and bi-dentate aminophenol pro-ligands ([L1]H–[L5]H) with magnesium and zinc derivatives has been studied. Reactions of the pro-ligands [L1]H, [L2]H and [L3]H with one equiv. of ZnEt2 or Zn(N(SiMe3)2)2 in toluene at room temperature afford cleanly, viaethane or amine elimination, the ethyl- and amido-zinc complexes 1–4. Complexes [L4]ZnEt (5) and [L4]Zn(N(SiMe3)2)2 (6) derived from the tridentate pro-ligand [L4]H were prepared in 84% and 76% yields, following similar alkane and amine elimination protocols, respectively. The 1 : 1 reactions of bidentate pro-ligand [L5]H with ZnEt2 or Zn(N(SiMe3)2)2 in toluene using different reaction protocols systematically yielded mixtures of the bis(ligand) complex [L5]2Zn (7) and the corresponding ethyl-[L5]ZnEt}n (8; n = 1 or 2) or amido- [L5]Zn(N(SiMe3)2)}n complexes (9; n = 1 or 2). The synthesis of magnesium-enolate complexes 10 and 11 was carried out in a one-pot, two-step procedure by first reacting pro-ligands [L1]H and [L4]H with one equiv. of Mg(n,sBu)2 to generate the corresponding [Ln]Mg(n,sBu)}n species, which were further reacted with one equiv. of 2,4,6-Me3C6H2COMe. All complexes have been characterized by multinuclear NMR, elemental analysis, and by single-crystal X-ray diffraction studies for five-coordinate magnesium complex 10, and four-coordinate Zn complexes 3–7. Preliminary studies indicate that magnesium species 10 and 11 as well as zinc complexes 1 and 5 are not active initiators for the polymerization of methyl methacrylate, even in combination with one equiv. of Li[OC(CH2)(2,4,6-Me3C6H2)], while zinc complexes 2, 4 and 6 are effective initiators for the ring-opening polymerization of ε-caprolactone and rac-lactide at 20 °C.

  一系列潜在的四齿、三齿和二齿氨基酚前配体([L1]H–[L5]H)与镁和锌衍生物的配位化学已被研究。前配体[L1]H、[L2]H和[L3]H与等量的ZnEt2或Zn(N(SiMe3)2)2在室温下在甲苯中反应，通过乙烷或胺消除，干净地得到乙基和酰胺基锌配合物1–4。从三齿前配体[L4]H衍生的配合物[L4]ZnEt(5)和[L4]Zn(N(SiMe3)2)2(6)分别通过类似的烷烃和胺消除协议，以84%和76%的产率制备。二齿前配体[L5]H与ZnEt2或Zn(N(SiMe3)2)2在甲苯中的1:1反应，采用不同的反应协议，系统地生成了双(配体)配合物[L5]2Zn(7)和相应的乙基-[L5]ZnEt}n(8; n = 1或2)或酰胺- [L5]Zn(N(SiMe3)2)}n配合物(9; n = 1或2)的混合物。镁醇盐配合物10和11的合成采用了一锅法两步程序，首先将前配体[L1]H和[L4]H与等量的Mg(n,sBu)2反应生成相应的[Ln]Mg(n,sBu)}n物种，然后进一步与等量的2,4,6-Me3C6H2COMe反应。所有配合物均通过多核NMR、元素分析以及五配位镁配合物10和四配位锌配合物3–6的单晶X射线衍射研究进行了表征。初步研究表明，镁物种10和11以及锌配合物1和5即使与等量的Li[OC(CH2)(2,4,6-Me3C6H2)]结合，也不是甲基丙烯酸甲酯聚合的有效引发剂，而锌配合物2, 4和6在20°C下对于ε-己内酯和rac-乳酸的环开聚合是有效的引发剂。
• Zinc and cobalt complexes based on tripodal ligands: synthesis, structure and reactivity toward lactide
  作者：Mathieu J.-L. Tschan、Jia Guo、Sumesh K. Raman、Emilie Brulé、Thierry Roisnel、Marie-Noelle Rager、Rémi Legay、Guillaume Durieux、Baptiste Rigaud、Christophe M. Thomas

  DOI：10.1039/c3dt52629a

  日期：——

  The coordination chemistry of a series of pro-ligands ([L1]–[L6]) with cobalt and zinc derivatives has been studied. All complexes have been characterized by multinuclear NMR, elemental analysis, and by single-crystal X-ray diffraction studies. Polymerization of rac-lactide takes place at 130 °C in the presence of cobalt and zinc complexes to yield polymers under solvent free conditions with controlled molecular masses and narrow polydispersities.

  一系列前配体（[L1]–[L6]）与钴和锌衍生物的配位化学已被研究。所有的配合物都通过多核核磁共振、元素分析以及单晶X射线衍射研究进行了表征。在130°C下，在钴和锌配合物的存在下，rac-乳酸内酯发生聚合反应，在无溶剂条件下生成具有可控分子量和窄分布宽度的聚合物。
• Ligand effects on NiII-catalysed alkane-hydroxylation with m-CPBA
  作者：Takayuki Nagataki、Kenta Ishii、Yoshimitsu Tachi、Shinobu Itoh

  DOI：10.1039/b615503k

  日期：——

  Nickel(ii) complexes supported by a series of pyridylalkylamine ligands [tris(2-pyridylmethyl)amine (TPA; complexes and ), tris[2-(2-pyridyl)ethyl]amine (TEPA; complexes and ), 6-[N,N-bis(2-pyridylmethyl)aminomethyl]-2,4-di-tert-butylphenol ((Dtbp)Pym2H; complexes and ), 6-[N,N-bis[2-(2-pyridyl)ethyl]aminomethyl]-2,4-di-tert-butylphenol ((Dtbp)Pye2H; complexes and ), N-benzyl-bis(2-pyridylmethyl)amine

  一系列吡啶基烷基胺配体[三（2-吡啶基甲基）胺（TPA;和），三[2-（2-吡啶基）乙基]胺（TEPA;和）和），6- [N ，N-双（2-吡啶基甲基）氨基甲基] -2,4-二叔丁基苯酚（（Dtbp）Pym2H；与和），6- [N，N-双[2-（2-吡啶基）乙基]氨基甲基] -2,4-二叔丁基苯酚（（Dtbp）Pye2H;和），N-苄基-双（2-吡啶基甲基）胺（（Bz）Pym2;配合物）和N-苄基-双[2-（合成了2-吡啶基）乙基]胺（（Bz）Pye2;配合物）]，并通过X射线晶体学分析对其结构进行了表征[配合物n（n = 1-6）为AcO（ -）和络合物n（n = 1-4）的值为NO（3）（-）]。除以外的所有配合物均以单核镍（ii）配合物的形式呈现出八面体几何形状的扭曲，而配合物则被分离为由两个硝酸根阴离子桥接的双核镍（ii）配合物。在使用m-CPBA作为氧化剂的环己烷氧化反应中，研究
• [EN] BLOCK COPOLYMERS OF CYCLIC ESTERS AND PROCESSES FOR PREPARING SAME<br/>[FR] COPOLYMÈRES À BLOCS D'ESTERS CYCLIQUES ET LEURS PROCÉDÉS DE PRÉPARATION
  申请人：RAMOT AT TEL-AVIV UNIV LTD

  公开号：WO2018002941A1

  公开（公告）日：2018-01-04

  Novel processes of preparing block polyester copolymers while precisely controlling the stereoconfiguration (e.g., tacticity), chemical composition and/or length of each unit (block) are provided. Block polyester copolymers featuring desirable combinations of two or more blocks featuring different stereoconfiguration (e.g., tacticity), chemical composition and/or length, including triblock, tetrablock and higher block copolymers are also provided. A novel family of organometallic magnesium complexes and uses thereof in preparing polyesters and block polyester copolymers are also provided.

  提供了一种新型的制备块状聚酯共聚物的工艺，可以精确控制立构构型（例如，立体异构性）、化学组成和/或每个单元（块）的长度。还提供了具有不同立构构型（例如，立体异构性）、化学组成和/或长度的两个或更多块的理想组合的块状聚酯共聚物，包括三块、四块和更高块共聚物。此外，还提供了一种新型的有机金属镁配合物家族及其在制备聚酯和块状聚酯共聚物中的用途。
• Configurationally flexible zinc complexes as catalysts for <i>rac</i>-lactide polymerisation
  作者：Pargol Daneshmand、Ina Michalsky、Pedro M. Aguiar、Frank Schaper

  DOI：10.1039/c8dt02562b

  日期：——

  The ethoxide complexes were highly active in lactide polymerization, with (L3)ZnOEt reaching full conversion in 15 min at 0.5 mM catalyst concentration at room temperature. In both cases, introduction of a second donor arm on the central nitrogen introduced a slight bias for isotactic monomer enchainment (Pm = 0.55–0.60), which for (L3)ZnOEt was dependent on catalyst concentration.

  Zn（N（SiMe 3）2）2与吡啶甲醇和R，R – N，N'-二（甲基苄基）-2,5-二亚氨基吡咯（L1 H）反应，得到二聚配合物（L1）2 Zn 2（ μ-OR）2。该复合物在外消旋-丙交酯聚合为多规聚合物中显示出中等活性（P r = 0.75）。氨基= N，N，N '，N的2,4-二叔丁基-6-氨基甲基-苯酚配体使'-四甲基二亚乙基三胺（L2 H）或二-（2-吡啶基）胺（L3 H）与ZnEt 2反应形成（L2）ZnEt和与Zn（N（SiMe 3）2）2形成各自的酰胺络合物。所有复合物，包括（L1）2 Zn 2（μ-OR）2均通过X射线衍射研究表征。（L2）ZnEt对乙醇不具有反应性，但酰胺配合物在与乙醇反应后可提供（L2）ZnOEt和（L3）ZnOEt，用于rac-丙交酯聚合而无需分离。所有配合物在室温下均易于消旋，并在其NMR光谱中表现出明显的C s-对称性。乙氧化物配合物在丙交酯