2,4-di-tert-butyl-6-bis(2-(diethylamino)ethyl)aminomethylphenol | 912573-08-1

• 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: 2,4-di-tert-butyl-6-bis(2-(diethylamino)ethyl)aminomethylphenol
• 英文别名: 4,6-di-tert-butyl-2-bis(2-(diethylamino)ethyl)aminomethylphenol；4,6-di-tert-butyl-2-bis[2-(diethylamino)ethyl]aminomethylphenol；(Et2NC2H4)2NCH2C6H2-3,5-(CMe3)2-2-OH；2-[[Bis[2-(diethylamino)ethyl]amino]methyl]-4,6-ditert-butylphenol；2-[[bis[2-(diethylamino)ethyl]amino]methyl]-4,6-ditert-butylphenol
• CAS: 912573-08-1
• 化学式: C₂₇H₅₁N₃O
• 分子量: 433.721
• InChiKey: HROJYCBDGVKYMN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  31
• 可旋转键数：
  14
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  30
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,4-di-tert-butyl-6-bis(2-(diethylamino)ethyl)aminomethylphenol 在 potassium hydride 作用下， 以 甲苯 为溶剂， 反应 16.0h， 以67%的产率得到potassium 4,6-di-tert-butyl-2-bis(2-(diethylamino)ethyl)aminomethylphenoxide
  参考文献：
  名称：

  带有潜在四齿苯氧胺配体的配位配合物

  摘要：

  一系列可能含有四齿的金属配合物 苯氧胺 配体描述。这配体根据特定金属中心的要求，发现它们被结合到具有可变密度的主族金属和第一行过渡金属中心。双齿[Al（III）]，三齿[Mg（II），Ca（II），Zn（II）]和四齿[K（I），Cr（III），Fe（II），Co（II）]结合模式通过单晶X射线结构的确定已经明确地建立了。

  DOI：

  10.1039/b607753f
• 作为产物：
  描述：

  聚合甲醛 、 N,N,N′,N′-四乙基二乙烯三胺 、 2,4-二叔丁基苯酚 以 甲醇 为溶剂， 反应 25.5h， 以86%的产率得到2,4-di-tert-butyl-6-bis(2-(diethylamino)ethyl)aminomethylphenol
  参考文献：
  名称：

  带有潜在四齿苯氧胺配体的配位配合物

  摘要：

  一系列可能含有四齿的金属配合物 苯氧胺 配体描述。这配体根据特定金属中心的要求，发现它们被结合到具有可变密度的主族金属和第一行过渡金属中心。双齿[Al（III）]，三齿[Mg（II），Ca（II），Zn（II）]和四齿[K（I），Cr（III），Fe（II），Co（II）]结合模式通过单晶X射线结构的确定已经明确地建立了。

  DOI：

  10.1039/b607753f

文献信息

• Group 3 Dialkyl Complexes with Tetradentate (L, L, N, O; L = N, O, S) Monoanionic Ligands:  Synthesis and Reactivity
  作者：Smaranda C. Marinescu、Theodor Agapie、Michael W. Day、John E. Bercaw

  DOI：10.1021/om0608612

  日期：2007.2.1

  Tripodal, tetradentate phenols, (LCH2)(2)NCH2-C6H2-3,5-(CMe3)(2)-2-OH (L = CH2OCH3 (1), CH2NEt2 (2), 2-C5H4N (3), CH2SCMe3 (5), CH2NMe2 (6)), were synthesized, and metalations were performed via alkane elimination from yttrium and scandium trialkyl complexes to generate the corresponding dialkyl complexes [(LCH2CH2)(2)NCH2-C6H2-3,5-(CMe3)(2)-2-O]MR2 (M = Y, L = OCH3, R = CH2SiMe2Ph (7a); M = Y, L = NEt2, R = CH2SiMe2Ph (7b); M = Sc, L = OCH3, R = CH2SiMe2Ph (8a); M = Sc, L = SCMe3, R = CH2SiMe2Ph (8b); M = Y, L = OCH3, R = CH2SiMe3 (9); M = Sc, L = OCH3, R = CH2SiMe3 (10)). X-ray crystallographic studies show that 7a,b and 8a adopt, in the solid state, mononuclear structures of C-1 symmetry. The H-1 NMR spectra of these dialkyl complexes in benzene-d(6) at high temperatures reveal exchange processes involving the ether groups and the alkyl groups. The dynamic behavior of species 7a, 8a, and 10 in toluene-d(8) was investigated by variable-temperature H-1 NMR spectroscopy. The activation parameters of the fluxional processes for 7a, 8a, and 10 were determined by line-shape and Eyring analyses (for 7a, Delta H = 7.3 +/- 0.3 kcal/mol and Delta S = -16 +/- 1.4 cal/(mol K); for 8a, Delta H = 9.9 +/- 0.5 kcal/mol and Delta S = -15.3 +/- 1.8 cal/ (mol K); for 10, Delta H = 10.8 +/- 0.6 kcal/mol and Delta S = -11.4 +/- 1.9 cal/(mol K)). These data establish that the dialkyl complexes 7a, 8a, and 10 undergo a nondissociative exchange process. The scandium dialkyl complex [(C5H4N-2-CH2)(2)NCH2-C6H2-3,5-(CMe3)(2)-2-O]Sc(CH2SiMe2Ph)(2) (11) was found to undergo clean activation of a C-H bond of a methylene linking a pyridine to the central nitrogen donor. This process follows first-order kinetics (k = [2.8(3)] x 10(-4) s(-1) at 0 degrees C). The yttrium dialkyl complexes 7a and 9 react with 1 equiv of [PhNHMe2](+)[B(C6F5)(4)](-) in chlorobenzene-d(5), to generate a solution that slowly polymerizes ethylene. Compounds 7-10 also polymerize ethylene with low activity upon activation with MAO.
• Coordination complexes bearing potentially tetradentate phenoxyamine ligands
  作者：Andrew R. F. Cox、Vernon C. Gibson、Edward L. Marshall、Andrew J. P. White、David Yeldon

  DOI：10.1039/b607753f

  日期：——

  A series of metal complexes containing potentially tetradentate phenoxyamine ligands is described. The ligands are found to bind to main-group metals and first-row transition-metal centres with variable denticity depending upon the requirements of the particular metal centre. Bidentate [Al(III)], tridentate [Mg(II), Ca(II), Zn(II)] and tetradentate [K(I), Cr(III), Fe(II), Co(II)] binding modes have

  一系列可能含有四齿的金属配合物 苯氧胺 配体描述。这配体根据特定金属中心的要求，发现它们被结合到具有可变密度的主族金属和第一行过渡金属中心。双齿[Al（III）]，三齿[Mg（II），Ca（II），Zn（II）]和四齿[K（I），Cr（III），Fe（II），Co（II）]结合模式通过单晶X射线结构的确定已经明确地建立了。
• Phenoxytriamine complexes of yttrium: synthesis, structure and use in the polymerization of lactide and ε-caprolactone
  作者：Ian Westmoreland、John Arnold

  DOI：10.1039/b600939e

  日期：——

  Reaction of the phenoxytriamine proligands 2,4-dimethyl-6-bis(2-(diethylamino)ethyl)aminomethlyphenol (HL1) and 2,4-di-tert-butyl-6-bis(2-(diethylamino)ethyl)aminomethylphenol (HL2) with Y[N(SiMe2H)2]3(THF)2 in pentane gave the momomeric complexes L1Y[N(SiMe2H)2]2 (1) and L2Y[N(SiMe2H)2]2 (2). X-Ray structural analysis of 2 shows a 5-coordinate yttrium center. The complexes 1 and 2 catalyze the ring opening polymerization of D-L-lactide and ε-caprolactone leading to narrow product polydispersities under mild conditions.

  苯氧基三胺原配体 2,4-二甲基-6-双(2-(二乙基氨基)乙基)氨基甲基苯酚 (HL1) 和 2、将 2,4-二甲基-6-双(2-(二乙氨基)乙基)氨基甲基苯酚 (HL1) 和 2,4-二叔丁基-6-双(2-(二乙氨基)乙基)氨基甲基苯酚 (HL2) 与 Y[N(SiMe2H)2]3(THF)2 在戊烷中反应，得到 L1Y[N(SiMe2H)2]2 (1) 和 L2Y[N(SiMe2H)2]2 (2)对映异构体。对 2 的 X 射线结构分析表明，它具有一个 5 配位的钇中心。复合物 1 和 2 可催化 D-L 内酯和 δ-己内酯的开环聚合反应，从而在温和条件下缩小产物的聚分散度。