Me2NCH2CH2CH2N(CH2-6-C6H2(OH)(tBu)2-2,4)2 | 32857-20-8

• 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: Me2NCH2CH2CH2N(CH2-6-C6H2(OH)(tBu)2-2,4)2
• 英文别名: 2,4-Ditert-butyl-6-[[(3,5-ditert-butyl-2-hydroxyphenyl)methyl-[3-(dimethylamino)propyl]amino]methyl]phenol；2,4-ditert-butyl-6-[[(3,5-ditert-butyl-2-hydroxyphenyl)methyl-[3-(dimethylamino)propyl]amino]methyl]phenol
• CAS: 32857-20-8
• 化学式: C₃₅H₅₈N₂O₂
• 分子量: 538.858
• InChiKey: PQENCSZLERBXFO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.6
• 重原子数：
  39
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.66
• 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：

  Me2NCH2CH2CH2N(CH2-6-C6H2(OH)(tBu)2-2,4)2 、 2-methyl-propan-2-ol; cerium tetra-tert-butylate 以 乙二醇二甲醚 为溶剂， 以41.7%的产率得到Ce(8-hydroxyquinolinate)₄
  参考文献：
  名称：

  Synthesis and crystal structures of cerium(IV) complexes with 8-quinolinolate and amine bis(phenolate) ligands

  摘要：

  Two cerium(IV) complexes of Ce(OQ)(4) (1) (HOQ = 8-hydroxyquinoline) and Ce(L)(2)center dot DME (2 center dot DME) (LH2 = Me2NCH2CH2CH2N{CH2-(3,5-Bu-t(2)-C6H2-2-OH)}(2)) have been synthesized and characterized by elemental analysis, infrared spectra and X-ray crystallography. Complex 1 is a new type of homoleptic 8-quinolinolate lanthanide complex and its overall geometry is like a four-wing-waterwheel. Complex 2 has two tridentate (ONO) amine bis(phenolate) ligands with their terminal N atoms in side-arms without participating in coordination. Both of 1 and 2 can catalyze the oxidation of benzyl alcohol. The conversion of benzyl alcohol by 2 is higher than that by 1 under comparable conditions. (C) 2012 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2012.11.020
• 作为产物：
  描述：

  聚合甲醛 、 2,4-二叔丁基苯酚 、 N,N-二甲基-1,3-二氨基丙烷 以 水 为溶剂， 反应 24.0h， 生成 Me2NCH2CH2CH2N(CH2-6-C6H2(OH)(tBu)2-2,4)2
  参考文献：
  名称：

  二胺双酚盐和侧胺双酚盐配体：室温钯催化的Suzuki-Miyaura偶联反应的催化活性

  摘要：

  使用单晶X射线衍射，NMR光谱和高分辨率质谱实验，报道并表征了一系列带有变化的空间体积的芳基取代基的胺双（酚盐）配体。原位钯配合物这些配体中的碳被评估为苯硼酸和芳基溴化物的Suzuki-Miyaura偶联催化剂。在低催化剂负载量（0.01摩尔％），较短的反应时间（30分钟）和温和的温度（30°C）下，在甲醇溶剂中观察到这些反应的高转化率。观察到一定范围的底物的转化率，并且发现转化率取决于所用外部碱和溶剂的性质。这些发现证明了衍生自胺双（酚盐）配体的后期过渡金属络合物的催化剂的实用性，特别是那些带有庞大的枯基取代基的催化剂。版权所有©2015 John Wiley＆Sons，Ltd.

  DOI：

  10.1002/aoc.3396

文献信息

• 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
• Achiral Lanthanide Alkyl Complexes Bearing N,O Multidentate Ligands. Synthesis and Catalysis of Highly Heteroselective Ring-Opening Polymerization of <i>rac</i>-Lactide
  作者：Xinli Liu、Xiaomin Shang、Tao Tang、Ninghai Hu、Fengkui Pei、Dongmei Cui、Xuesi Chen、Xiabin Jing

  DOI：10.1021/om0700359

  日期：2007.5.1

  found for complex 4. The Salan yttrium alkyl complex 6 was active but nonselective. Bis(alkyl) complexes 7 and 8 were more active than 1−3 toward polymerization of rac-LA, however, to afford atactic polylactides due to di-active sites. The ligand framework, especially the “bridge” between the two nitrogen atoms, played a significant role in governing the selectivity of the corresponding complexes via changing

  氨基-氨基-双（酚）H 2 L 1的烷烃消除反应- 4，萨兰H 2 L 5和甲氧基-β-二亚胺HL 6,7用镧系元素的三（烷基）类，LN（CH 2森达3）3（THF）2（Ln为Y，Lu）中，分别得到了一系列的镧系元素络合物烷基1 - 8以四甲基硅烷的释放。配合物1 - 6是THF溶剂化的单（烷基）S按稳定的O，N，N，O -tetradentate配体。配合物1 - 3和5采用扭曲的八面体几何形状，而4包含四方双锥芯。带有单阴离子部分L 6（L 7），配合物7（8）是不含THF的双（烷基）。在配合物7中，O，N，N-三齿配体与两个烷基物质结合形成四面体配位核心。配合物1，2，和3显示适度的活性，但是高立体选择性为聚合外消旋-丙交酯，得到聚乳酸杂同与单体单元的外消旋enchainment P ř范围从0.95至0.99，达到迄今的最高值。复杂5表现出几乎相同的活性水平，尽管选择性相对较低。相
• Zirconium Complexes of Amine−Bis(phenolate) Ligands as Catalysts for 1-Hexene Polymerization:  Peripheral Structural Parameters Strongly Affect Reactivity
  作者：Edit Y. Tshuva、Israel Goldberg、Moshe Kol、Zeev Goldschmidt

  DOI：10.1021/om0101285

  日期：2001.7.1

  Novel amine bis(phenolate) zirconium dibenzyl complexes were synthesized in quantitative yields from a versatile family of chelating amine -bis((2-hydroxyaryl)methyl) ligand precursors, their X-ray structures solved, and their reactivity in the polymerization of l-hexene in the presence of B(C6F5)(3) studied. Several minor peripheral structural modifications were studied and found to have a major influence on the catalyst performance. Thus, a variety of reactivities, ranging from extremely high to negligible, were obtained, demonstrating a unique structure-reactivity relationship. This relationship is partially revealed from the crystal structures of the precatalysts, indicating similar [ONO] ligand cores in all structures solved. A correlation between the solid and the solution structures is obtained from H-1 NMR spectra, which reveal a rigid binding of the ligand to the metal. The solid structures are therefore proposed to serve as reliable references when studying structure-reactivity relationships. The most significant structural parameter was found to be the existence of an extra donor located on a pendant arm. [ONO]-type pentacoordinate complexes lacking such an additional donor are rapidly deactivated and lead only to traces of oligomers. On the other hand, hexacoordinate complexes based on [ONNO]-type ligands, in which strong donation of a side donor to the metal is obtained through formation of a five-membered chelate, lead to extremely reactive polymerization catalysts. The nitrogen hybridization and aromatic ring substituents have a more subtle effect on reactivity. Increasing the chelate size results in either no binding of the side donor, yielding negligible reactivity, or strong binding yet moderate polymerization reactivity. Increasing the steric bulk on the donor results in weakening of the metal-donor bond, leading to a moderate oligomerization catalyst. The sidearm nitrogen is therefore proposed to play a crucial role in determining the propagation process rate, as well as the propagation/termination rate ratio.
• Synthesis and Crystal Structures of Aminobis(phenolate) Lanthanocenes
  作者：Manman Zhang、Fugen Yuan、Li Li、Xuehua Zhu

  DOI：10.1080/15533174.2014.989599

  日期：2016.6.2

  The protonolysis of Cp(3)Ln with 1 equivalent of LH2 (LH2 = Me2NCH2CH2CH2NCH2-(3,5-Bu-t(2)-C6H2-2-OH)}(2))or salt metathesis of anhydrous LnCl(3) with 1 equivalent of LNa2 and 1 equivalent of CpNa in THF afforded heteroleptic aminobis(phenolate) lanthanocene complexes of LLnCp(THF)(2) (Ln = Sm(1), Er(2), Yb(3)) in good yields. Complexes 1-3 were characterized by infrared spectra, elemental analyses, and X-ray crystallography. The structural analysis indicated that the L-2-ligand in each of these complexes adopt an O,N,O-tridentate coordination mode.