N,N'-bis(4-methyl-6-tert-butyl-2-methyl-phenol)-N,N'-bismethyl-1,2-diaminoethane | 197704-74-8

• 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,N'-bis(4-methyl-6-tert-butyl-2-methyl-phenol)-N,N'-bismethyl-1,2-diaminoethane
• 英文别名: 2-Tert-butyl-6-[[2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl-methylamino]ethyl-methylamino]methyl]-4-methylphenol
• CAS: 197704-74-8
• 化学式: C₂₈H₄₄N₂O₂
• 分子量: 440.67
• InChiKey: FFUDJUIFPVEFCU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  32
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  46.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  iron(III)-acetylacetonate 、 N,N'-bis(4-methyl-6-tert-butyl-2-methyl-phenol)-N,N'-bismethyl-1,2-diaminoethane 在 三乙胺 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以81%的产率得到
  参考文献：
  名称：

  Iron(III) complexes of ethylenediamine derivatives of aminophenol ligands as models for enzyme–substrate adducts of catechol dioxygenases

  摘要：

  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.

  DOI：

  10.1016/j.ica.2012.10.015
• 作为产物：
  描述：

  聚合甲醛 、 N,N'-二甲基乙二胺 、 3-叔丁基-2-羟基-5-甲基苯甲醛 在 sodium tetrahydroborate 作用下， 以 甲醇 、 四氢呋喃 为溶剂， 以76 %的产率得到N,N'-bis(4-methyl-6-tert-butyl-2-methyl-phenol)-N,N'-bismethyl-1,2-diaminoethane
  参考文献：
  名称：

  用于脱氧脱水反应的基于萨兰配体的钼催化剂

  摘要：

  基于萨兰配体的二氧钼配合物在催化脱氧脱水（DODH）反应中的潜力已被评估。 DODH 反应是一种形式还原反应，使用含氧金属催化剂和牺牲还原剂将邻位二醇转化为烯烃。该反应在将生物质衍生的分子转化为平台化学品方面具有巨大的潜力。本研究评估了 DODH 反应中由萨兰配体支持的二十 (20) 个钼配合物，目的是建立结构-活性关系。使用苯乙烯乙二醇作为模型底物和 1-10 mol% 的钼络合物负载量，在 170 °C 下进行催化剂筛选，产生苯乙烯，产率高达 54%。脂肪族二醇和内消旋/R,R-氢化苯偶姻也以中等至良好的产率（60-71%）转化为相应的烯烃，与之前报道的钼催化剂相当。使用 10 mol% 催化剂，生物来源的二醇（+）-酒石酸二乙酯可以转化为烯烃产品（富马酸二乙酯），产率 >98%。使用Na 2 SO 3 （廉价、易得且良性）作为还原剂也获得了高产率的富马酸二乙酯（78%）。非常重要的是，在

  DOI：

  10.1039/d4cy00441h

文献信息

• Vanadium Aminophenolate Complexes and Their Catalytic Activity in Aerobic and H2O2‐Mediated Oxidation Reactions
  作者：Ali I. Elkurtehi、Andrew G. Walsh、Louise N. Dawe、Francesca M. Kerton

  DOI：10.1002/ejic.201600068

  日期：2016.7

  spectrometry and UV/Vis data. The catalytic activity of 1–4 as homogeneous catalysts in the aerobic oxidation of 4‐methoxybenzyl alcohol and 1,2‐diphenyl‐2‐methoxyethanol was explored. 1 and 2 showed moderately superior activity compared with 3 and 4, which might be due to increased stability of these complexes. 1–4 showed limited reactivity in H2O2‐mediated oxidation of diphenyl ether and benzyl phenyl

  由四齿氨基-双（苯酚）配体支持的钒化合物，[VO(OMe)(O2NOBuMeMeth)] (1), [VO(OMe)(ON2OBuMe)] (2), [VO(OMe)(O2NNBuBuPy)] (3 ), 和 [VO(OMe)(O2NOBuBuFurf)] (4) [其中 (O2NOBuMeMeth) = MeOCH2CH2N(CH2ArOH)2, Ar = 3,5-C6H2-Me, tBu; (ON2OBuMe) = HOArCH2NMeCH2CH2NMeCH2ArOH，Ar = 3,5- -Me，tBu；(O2NNBuBuPy) = C5H4NCH2N(CH2ArOH)2，Ar = 3,5- -tBu2；(O2NOBuBuFurf) = C4H3OCH2N(CH2ArOH)2, Ar = 3,5- -tBu2] 合成并通过 NMR 光谱、MALDI-TOF 质谱和 UV/Vis
• Neodymium borohydride complexes supported by diamino-bis(phenoxide) ligands: diversity of synthetic and structural chemistry, and catalytic activity in ring-opening polymerization of cyclic esters
  作者：Mikhail A. Sinenkov、Georgy K. Fukin、Anton V. Cherkasov、Noureddine Ajellal、Thierry Roisnel、Francesca M. Kerton、Jean-François Carpentier、Alexander A. Trifonov

  DOI：10.1039/c0nj00486c

  日期：——

  New heterobimetallic borohydrido neodymium complexes [OONN]1Nd(BH4)(μ-BH4)Li(THF)}2 (1) and [OONN]3Nd(BH4)(μ-BH4)Li(THF)2 (3) supported by diamino-bis(phenoxide) ligands ([OONN]1 = CH2N(Me)CH2-3,5-Me,t-Bu-C6H2O}2; [OONN]3 = C5H4NCH2NCH2-3,5-Me,t-Bu-C6H2O}2) were synthesized by the reactions of Nd(BH4)3(THF)2 with equimolar amounts of dilithium derivatives of diamino-bis(phenol)s Li2[OONN]n and isolated in high yields. In the case of Li2[OONN]2 ([OONN]2 = Me2NCH2CH2NCH2-3,5-t-Bu-C6H2O}2), the same synthetic procedure afforded the heterobimetallic bis(phenoxide) complex LiNd[OONN2]2} (2). The structures of complexes 1–3 were established by X-ray diffraction studies. Compounds 1–3 act as single-site initiators for the ring-opening polymerization (ROP) of racemic lactide and racemic β-butyrolactone under mild conditions (20 °C), providing atactic polymers with controlled molecular weights and relatively narrow polydispersities (Mw/Mn = 1.07–1.82). While 1 and 3 initiate polymerizationvia their borohydride groups, ROP with 2 proceeds viainsertion into the Nd–O(ligand) bond.

  新型异双核硼氢化钕配合物 [OONN]1Nd(BH4)(μ- )Li(THF)}2 (1) 和 [OONN]3Nd( )(μ- )Li(THF)2 (3)，由二氨基双(苯酚)配体([OONN]1 = CH2N(Me)CH2-3,5-Me,t-Bu-C6H2O}2; [OONN]3 = C5H4N -3,5-Me,t-Bu- }2)支持，通过Nd( )3(THF)2与等摩尔量的二锂二氨基双(苯酚)衍生物Li2[OONN]n反应合成，并高产率地分离得到。对于Li2[OONN]2 ([OONN]2 = Me2N -3,5-t-Bu- }2)，同样的合成步骤得到了异双核双(苯酚)配合物LiNd[OONN2]2} (2)。配合物1-3的结构通过X射线衍射研究确定。化合物1-3在温和条件下(20 °C)作为单中心引发剂用于外消旋乳酸酯和外消旋β-丁内酯的开环聚合反应(ROP)，提供了具有受控分子量和相对较窄多分散性的非结晶性聚合物(Mw/Mn = 1.07–1.82)。1和3通过它们的硼氢化物基团引发聚合反应，而2通过插入Nd-O(配体)键进行ROP。
• 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。
• Synthesis and X-ray structure analysis of cytotoxic heptacoordinated Salan hafnium(IV) complexes stabilized with 2,6-dipicolinic acid
  作者：Tiankun Zhao、Peng Wang、Nan Liu、Wenzhuo Zhao、Mingjun Yang、Shanjia Li、Zhongduo Yang、Bolu Sun、Thomas Huhn

  DOI：10.1016/j.jinorgbio.2022.112094

  日期：2023.3

  Four novel Salan Hf(IV) complexes stabilized by 2,6-dipicolinic acid (Dipic) were synthesized and characterized by 1H, 13C NMR and X-ray diffraction spectroscopy. These Hf(IV) bis-chelates could be obtained in good to excellent yields (88%–91%) and demonstrated rather good stability in aqueous media and on silica gel. [L2Hf(IV)Dipic4-H,Cl] containing steric bulk L2 were stable in about 10% H2O (H2O/THF

  合成了四种由 2,6-吡啶二羧酸 (Dipic) 稳定的新型 Salan Hf (IV)配合物，并通过1 H、13 C NMR 和 X 射线衍射光谱对其进行了表征。这些 Hf (IV) 双螯合物可以良好到极好的收率 (88%–91%) 获得，并且在水性介质和硅胶上表现出相当好的稳定性。[L 2 Hf (IV) Dipic 4-H,Cl ]包含空间体积 L 2在约 10% H 2 O (H 2 O/THF ( v/v ))中稳定，然而， [L 1 Hf (IV)双酸4-H,Cl]与非空间L 1可以缓慢解离并释放无毒的L 1。[L 1 – 2 Hf (IV) Dipic 4-Cl ]在顺铂范围内表现出出色的抗肿瘤活性（Hela S3：IC 50  = 3.5 ± 0.4 μM，Hep G2：IC 50  = 11.2 ± 2.1 μM）。此外，[L 1 Hf (IV) Dipic 4-Cl ]的细胞摄取和细胞凋亡研究表明针对
• Mialane, Pierre; Anxolabehere-Mallart, Elodie; Blondin, Genevieve, Inorganica Chimica Acta, 1997, vol. 263, # 1-2, p. 367 - 378
  作者：Mialane, Pierre、Anxolabehere-Mallart, Elodie、Blondin, Genevieve、Nivorojkine, Alexander、Guilhem, Jean、Tchertanova, Lyuba、Cesario, Michele、Ravi, Natarajan、Bominaar, Emile、Girerd, Jean-Jacques、Muenck, Eckart

  DOI：——

  日期：——