diethylaminoethylamino-N,N-bis(2-methylene-4,6-di-tert-amylphenol) | 1033002-90-2

• 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: diethylaminoethylamino-N,N-bis(2-methylene-4,6-di-tert-amylphenol)
• 英文别名: Et2NCH2CH2N(CH2-6-C6H2(OH)(tPe)2-2,4)2；Et2NCH2CH2N(CH2-6-C6H2(OH)(C(CH3)2Et)2-2,4)2；2-[[2-(Diethylamino)ethyl-[[2-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]methyl]amino]methyl]-4,6-bis(2-methylbutan-2-yl)phenol；2-[[2-(diethylamino)ethyl-[[2-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]methyl]amino]methyl]-4,6-bis(2-methylbutan-2-yl)phenol
• CAS: 1033002-90-2
• 化学式: C₄₀H₆₈N₂O₂
• 分子量: 608.992
• InChiKey: FDAPRUZKWORLMO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.2
• 重原子数：
  44
• 可旋转键数：
  17
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.7
• 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：

  diethylaminoethylamino-N,N-bis(2-methylene-4,6-di-tert-amylphenol) 、 Sm(N(SiMe3)2)2(THF)2 以 正己烷 为溶剂， 以80%的产率得到[Sm(Et2NCH2CH2N(CH2-6-C6H2O(C(CH3)2Et)2-2,4)2)]
  参考文献：
  名称：

  胺双酚盐配体负载的新型二价镧系配合物的合成，表征及其在环酯开环聚合中的应用

  摘要：

  二阵列的处理（酚）中文2大号X {L X = [（- OC 6 H ^ 2（2,4-R）（6-CH 2））2 NCH 2 CH 2 X]，其中X = CH 2 NMe 2，NMe 2，NEt 2，OMe，R = Bu t，Pe t，其中Pe t = C（CH 3）2 Et}与[Ln（N（SiMe 3）2）2（THF）2]（Ln为镱，钐）以1：在己烷中，得到的新的二价镧系元素的双（酚盐）复合物的大量1的摩尔比：[L 2C的Yb] 2（X = NET 2，R =卜吨）1，[ L 2b Yb] 2（X = CH 2 NMe 2，R = Bu t）2，[L 3a Yb] 2（X = NMe 2，R = Pe t）3，[L 3b Yb] 2（X = OMe， R = Pe t）4，[L 2c Sm]（X = NEt 2，R = Bu t）5，[L 3c Yb]（X = NEt 2，R = Pe t）6，[L

  DOI：

  10.1039/b816916k
• 作为产物：
  描述：

  聚合甲醛 、 2,4-二叔戊基苯酚 、 N,N-二乙基乙二胺 以 甲醇 、 水 为溶剂， 以58%的产率得到diethylaminoethylamino-N,N-bis(2-methylene-4,6-di-tert-amylphenol)
  参考文献：
  名称：

  胺双酚盐配体负载的新型二价镧系配合物的合成，表征及其在环酯开环聚合中的应用

  摘要：

  二阵列的处理（酚）中文2大号X {L X = [（- OC 6 H ^ 2（2,4-R）（6-CH 2））2 NCH 2 CH 2 X]，其中X = CH 2 NMe 2，NMe 2，NEt 2，OMe，R = Bu t，Pe t，其中Pe t = C（CH 3）2 Et}与[Ln（N（SiMe 3）2）2（THF）2]（Ln为镱，钐）以1：在己烷中，得到的新的二价镧系元素的双（酚盐）复合物的大量1的摩尔比：[L 2C的Yb] 2（X = NET 2，R =卜吨）1，[ L 2b Yb] 2（X = CH 2 NMe 2，R = Bu t）2，[L 3a Yb] 2（X = NMe 2，R = Pe t）3，[L 3b Yb] 2（X = OMe， R = Pe t）4，[L 2c Sm]（X = NEt 2，R = Bu t）5，[L 3c Yb]（X = NEt 2，R = Pe t）6，[L

  DOI：

  10.1039/b816916k

文献信息

• Accelerated syntheses of amine-bis(phenol) ligands in polyethylene glycol or “on water” under microwave irradiation
  作者：Francesca M Kerton、Stacey Holloway、Angela Power、R Graeme Soper、Kristina Sheridan、Jason M Lynam、Adrian C Whitwood、Charlotte E Willans

  DOI：10.1139/v08-043

  日期：2008.5.1

  Pure amine-bis(phenol) ligands are readily accessible in high yield, often >90%, when the Mannich condensation reactions are performed “on water” or in poly(ethyleneglycol) (PEG). Microwave-assisted synthesis dramatically reduces the time and energy required to prepare these molecules, typically from 24 h to 5 min. The approach seems to be widely applicable (7 amines and 5 phenols were tested to yield a diverse set of bis(phenol) ligands). Significant improvements in yield were observed for ligands derived from di-tert-amyl and di-tert-butyl phenols, possibly resulting from a hydrophobic effect. Single crystal X-ray diffraction data for the ligand derived from p-cresol and N,N′-dimethylethylenediamine is reported.Key words: amine-phenol, Mannich condensation, on water, microwave, ligand, high-throughput.

  当曼尼希缩合反应在 "水上 "或聚（乙二醇）（PEG）中进行时，很容易获得纯胺-双（酚）配体，而且收率很高，通常可达 90%。微波辅助合成大大减少了制备这些分子所需的时间和能量，通常可从 24 小时缩短到 5 分钟。这种方法似乎具有广泛的适用性（对 7 种胺和 5 种酚进行了测试，得到了多种双（酚）配体）。从二叔戊基苯酚和二叔丁基苯酚衍生出的配体的产率显著提高，这可能是疏水效应的结果。报告了由对甲酚和 N,N′-二甲基乙二胺衍生的配体的单晶 X 射线衍射数据。 关键词：胺-酚、曼尼希缩合、水、微波、配体、高通量。
• Synthesis and structure of mono-, bi- and trimetallic amine-bis(phenolate) cobalt(ii) complexes
  作者：Uttam K. Das、Julia Bobak、Candace Fowler、Sarah E. Hann、Chad F. Petten、Louise N. Dawe、Andreas Decken、Francesca M. Kerton、Christopher M. Kozak

  DOI：10.1039/c002843f

  日期：——

  A series of cobalt(II) amine-bis(phenolate) complexes has been prepared and characterized. The protonated tripodal tetradentate ligand precursors; dimethylaminoethylamino-N,N-bis(2-methylene-4-tert-butyl-6-methylphenol), H2[O2NN′]BuMeNMe2, dimethylaminoethylamino-N,N-bis(2-methylene-4,6-di-tert-butylphenol), H2[O2NN′]BuBuNMe2, diethylaminoethylamino-N,N-bis(2-methylene-4,6-di-tert-amylphenol), H2[O2NN′]AmAmNEt2 and 2-pyridylamino-N,N-bis(2-methylene-4,6-di-tert-amylphenol), H2[O2NN′]AmAmPy; were reacted with cobaltous acetate tetrahydrate under varying conditions to afford a range of monometallic, bimetallic and trimetallic species. An unusual four coordinate complex Co[O2NN′]AmAmNEt2 containing CoII in a trigonal monopyramidal environment was structurally characterized, whereas using a less sterically demanding ligand a series of five coordinate complexes Co[O2NN′]BuBuNMe2(L) (L = H2O, CH3OH, (CH3)2CO, propylene oxide) containing CoII in a trigonal bipyramidal environment was prepared. A new angular structural parameter related to τ is defined, where τ′ may be used to compare complexes with trigonal monopyramidal structures. In contrast, ligands containing a pendant pyridyl donor afford dimeric species including Co(μ-CH3OH)[O2NN′]AmAmPy}2. In the absence of base and in the presence of excess cobaltous acetate, trimetallic complexes were isolated containing a central CoII in an octahedral environment coordinated to four CH3OH and two bridging acetate ligands between two Co[O2NN′] fragments with CoII in a trigonal bipyramidal setting. The paramagnetic CoII complexes reported were also characterized by UV-vis spectroscopy, mass spectrometry, cyclic voltammetry and magnetic measurements.

  一系列钴(II)胺双(酚氧基)络合物已被制备并表征。质子化的三足四配位配体前体；二甲基氨基乙基氨基-N,N-双(2-亚甲基-4-叔丁基-6-甲基酚)，H2[O2NN′]BuMeNMe2；二甲基氨基乙基氨基-N,N-双(2-亚甲基-4,6-二叔丁基酚)，H2[O2NN′]BuBuNMe2；二乙基氨基乙基氨基-N,N-双(2-亚甲基-4,6-二叔戊基酚)，H2[O2NN′]AmAmNEt2以及2-吡啶基氨基-N,N-双(2-亚甲基-4,6-二叔戊基酚)，H2[O2NN′]AmAmPy；在不同条件下与四水合醋酸钴反应，生成一系列单金属、双金属和三金属物种。一个不寻常的四配位络合物Co[O2NN′]AmAmNEt2在三角单金字塔环境中含有CoII，并进行了结构表征；而使用一种要求较少立体空间的配体制备了一系列五配位络合物Co[O2NN′]BuBuNMe2(L)（L = H2O、CH3OH、(CH3)2CO、环氧丙烷），其中CoII位于三角双金字塔环境中。定义了一个与τ相关的新的角结构参数τ′，可用于比较具有三角单金字塔结构的络合物。相比之下，含有悬挂吡啶供体的配体形成了二聚体物种，包括Co(μ-CH3OH)[O2NN′]AmAmPy}2。在缺乏碱基且存在过量醋酸钴的情况下，分离出了三金属络合物，含有中心CoII在八面体环境中，与四个CH3OH和两个连接醋酸配体配位于两个Co[O2NN′]片段之间，CoII位于三角双金字塔结构中。所报告的顺磁性CoII络合物还通过紫外-可见光光谱、质谱、循环伏安法和磁性测量进行了表征。
• Structural variations in the coordination chemistry of amine-bis(phenolate) cobalt(II/III) complexes
  作者：Lisa N. Saunders、Michelle E. Pratt、Sarah E. Hann、Louise N. Dawe、Andreas Decken、Francesca M. Kerton、Christopher M. Kozak

  DOI：10.1016/j.poly.2012.07.082

  日期：2012.10

  A series of cobalt(II), cobalt(III) and mixed valence cobalt(II/III) compounds has been prepared and characterized. The protonated tripodal tetradentate ligand precursors (dimethylaminoethylamino-N, N-bis(2-methylene-4-tert-butyl-6-methylphenol), H-2[O2NN'](BuMeNMe2), dimethylaminoethylamino-N,N-bis(2-methylene-4,6-di-tert-butylphenol), H-2[O2NN'](BuBbNMe2), and 2-pyridylamino-N,N-bis(2-methylene-4-tert-butyl-6-methylphenol), H-2[O2NN'](BuMePy) were reacted with cobaltous acetate tetrahydrate under varying conditions to afford a range of monometallic, bimetallic and trimetallic species. Monometallic compounds, 1 and 2, were obtained with pendant amine-containing ligands [O2NN'](BuMeNMe2) and [O2NN'](BuBuNMe2), respectively. Compound 1 is a trigonal bipyramidal Co-II acetone adduct, Co-II(OCMe2)[O2NN'](BuMeNMe2), and 2 is a distorted octahedral Co-III acetate complex, Co-II(OAc)[O2NN'](BuBuNMe2). A dimethoxo-bridged dicobalt(III) complex, 3, was obtained using the pyridyl group-containing ligand, [O2NN'](BuMePy), after oxidation in air of a methanol solution of Co[O2NN'](BuMePy)}(2). Two side-products, 4 and 5 were also obtained from this reaction. Complex 4 contains two octahedrally coordinated cobalt(III) atoms, each bonded to a tetradentate amine-bis(phenolate) ligand and bridged by one syn,syn eta(1):eta(1):mu(2) acetate ligand, and one hydroxide ligand. Complex 5 is a heterotrimetallic compound and consists of two Co[O2NN'](BuMePy) fragments, each bridged by a syn, anti eta(1):eta(1):mu(2) acetate ligand to a central Ca-II(HOMe)(4) fragment. Mixed valence Co-Co-III(II)-Co-III trimetallic complexes, 6 and 7, were obtained by reaction of H-2[O2NN'](BuMePy) or H-2[O2NN'](BuBuPy) ligands, respectively, with Co(OAc)(2)center dot 4H(2)O in 2:3 molar ratios in methanol under nitrogen followed by aerobic oxidation. Diethylamino-ethylamino-N,N-bis(2-methylene-4,6-di-tert-amylphenol), H-2[O2NN'](AmAmNEt2) was reacted with cobaltous chloride hexahydrate under acidic conditions to give the ionic compound H-3[O2NN'](AmAmNEt2)}(2)(+)[CoCl4](2-), 8. (C) 2012 Elsevier Ltd. All rights reserved.
• Synthesis and characterization of new divalent lanthanide complexes supported by amine bis(phenolate) ligands and their applications in the ring opening polymerization of cyclic esters
  作者：Divine T. Dugah、Brian W. Skelton、Ewan E. Delbridge

  DOI：10.1039/b816916k

  日期：——

  A selection of divalent compounds (1, 3, 4, 5, 6 and 7) were tested as catalyst precursors in the polymerization of ε-caprolactone and/or L-lactide which resulted in high molecular weight polymers with PDIs of 1.11–2.81 and 1.13–1.56 for ε-caprolactone and L-lactide respectively. All polymerization studies were performed in either toluene or THF and at room temperature (ε-caprolactone) or 70 °C (L-lactide)

  二阵列的处理（酚）中文2大号X L X = [（- OC 6 H ^ 2（2,4-R）（6-CH 2））2 NCH 2 CH 2 X]，其中X = CH 2 NMe 2，NMe 2，NEt 2，OMe，R = Bu t，Pe t，其中Pe t = C（CH 3）2 Et}与[Ln（N（SiMe 3）2）2（THF）2]（Ln为镱，钐）以1：在己烷中，得到的新的二价镧系元素的双（酚盐）复合物的大量1的摩尔比：[L 2C的Yb] 2（X = NET 2，R =卜吨）1，[ L 2b Yb] 2（X = CH 2 NMe 2，R = Bu t）2，[L 3a Yb] 2（X = NMe 2，R = Pe t）3，[L 3b Yb] 2（X = OMe， R = Pe t）4，[L 2c Sm]（X = NEt 2，R = Bu t）5，[L 3c Yb]（X = NEt 2，R = Pe t）6，[L