2,6-bis(3,5-bis(1,1-dimethylethyl)-2-hydroxyphenylmethyl)-4-(1,1-dimethylethyl)phenol | 251920-19-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 2,6-bis(3,5-bis(1,1-dimethylethyl)-2-hydroxyphenylmethyl)-4-(1,1-dimethylethyl)phenol
• 英文别名: 2,6-bis(3,5-di-tert-butyl-2-hydroxybenzyl)-4-tert-butylphenol；4-tert-butyl-2,6-bis(3,5-di-tert-butyl-2-hydroxybenzyl)phenol；4-Tert-butyl-2,6-bis[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]phenol；4-tert-butyl-2,6-bis[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]phenol
• CAS: 251920-19-1
• 化学式: C₄₀H₅₈O₃
• 分子量: 586.899
• InChiKey: XJVAQFVIYIHPBE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.1
• 重原子数：
  43
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  60.7
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,6-bis(3,5-bis(1,1-dimethylethyl)-2-hydroxyphenylmethyl)-4-(1,1-dimethylethyl)phenol 以 甲苯 为溶剂， 反应 0.17h， 生成 4,6,12,18,20-penta(tert-butyl)-1-phosphapentacyclo[12.8.2.0^3,8.0^10,24.0^16,21]-tetracosa-3,5,7,10(24),11,13,16(21),17,19-nonaene
  参考文献：
  名称：

  六烷基磷酸三酰胺与低聚酚的反应

  摘要：

  摘要 六烷基磷三酰胺在与低聚苯酚 1a-i 的反应中以良好的产率形成 6-二烷基氨基-12H-二苯并[dg] [1,3,2] 二氧杂磷酸酯 2a-i。将 stencal 受阻化合物 2a-f 加热至 315°C 会产生相应的双环亚磷酸酯 3a-d，而非受阻磷酸酯 2g-i 在回流的二甲苯中反应生成亚磷酸酯 3e-g。在 THF 中加热至 90°C 期间，通过磷部分的“游动”，磷酸素 2i 形成了另一种磷酸素 2i*。双环亚磷酸酯3h和3i是由四苯酚1h和五苯酚1i与六乙基三酰胺在回流二甲苯中反应制备的。二磷酸化的三苯酚 4 和四苯酚 5 在相应的苯酚与 2 eq. 的反应中形成。六烷基磷三酰胺。

  DOI：

  10.1080/10426509908037029

文献信息

• Synthesis, structure and ethylene polymerisation behaviour of vanadium(iv and v) complexes bearing chelating aryloxides
  作者：Damien Homden、Carl Redshaw、Lee Warford、David L. Hughes、Joseph A. Wright、Sophie H. Dale、Mark R. J. Elsegood

  DOI：10.1039/b901810g

  日期：——

  2'-CH3CH[4,6-(t-Bu)2C6H2OH]2} (LH2) afforded the hydroxyl bridged complexes [(VOL)2(mu2-OH)(mu2-Oi-Pr)] (5) (major product) and [VO(mu2-OH)(L)]2 x 4(MeCN) (6) (minor product). In general, we find that controlled hydrolysis of [V(NAr)(On-Pr)3] (Ar = p-ClC6H4, p-OCNC6H4 or p-tolyl) in the presence of LH2 reproducibly led to the vanadyl complex [VO(mu-On-Pr)L]2 x 2(MeCN) (7), in which the n-propoxide bridges

  [V（Np-tolyl）Cl3]与硫桥联的二酚配体2,2'-硫代双（4,6-二叔丁基苯酚），2,2'-S [4,6-（ （t-Bu）2 C 6 H 2 OH] 2}（LSH 2）得到配合物[V（LS）2]（1）和[VOCl 3（MeCN）2] [H 3 Np-甲苯基]（2）。络合物2也可以直接由[V（Np-甲苯基）Cl3]和“湿”乙腈制备。[V（Np-甲苯基）（Ot-Bu）3]与LSH2反应得到[VO（mu2-OH）（LS）] 2 x 6（MeCN）（3），而[VO（On-Pr） 3]与2,2'-亚磺酰基双（4,6-二叔丁基苯酚），2,2'-SO2 [4,6-（t-Bu）2C6H2OH] 2}（LSO2H2），得到[V（ LSO2）2] x MeCN（4）。[VO（Oi-Pr）3]与亚乙基桥连的二酚2,2'-亚乙基双（4,6-二叔丁基苯酚），2,2'-CH3CH [4，6-（t-Bu）2
• Linear Trimer Analogues of Calixarene as Chiral Coordinating Ligands:  X-ray Crystallographic and NMR Spectroscopic Characterization of Chiral and Achiral Trisphenolates Complexed to Titanium(IV) and Aluminum(III)
  作者：William O. Appiah、Angela D. DeGreeff、Gina L. Razidlo、Sarah J. Spessard、Maren Pink、Victor G. Young,、Gretchen E. Hofmeister

  DOI：10.1021/ic010685j

  日期：2002.7.1

  the titanium complex of the achiral trisphenol (R = H; R' = t-Bu) reveals that the trisphenolate ligand adopts an unsymmetrical (and therefore chiral) conformation, with eta(2)-coordination to one metal center and eta(1)-coordination to the second metal center. The chiral trisphenol, which contains a stereogenic center (indicated as C in the shorthand notation used above), coordinates titanium in an

  杯芳烃的手性和手性线性三酚类似物（HOArCH（2）Ar'（OH）C（R）HArOH，Ar = 4,6-二叔丁基苯基; Ar'= 4-叔丁基苯基; R = H（非手性），Me（手性）是在与Lewis酸性金属中心配位后预期采用手性构象而制备的。三酚与1当量的Ti（OR'）（4）（R'= i-Pr或t-Bu）反应生成分子式为Ti（2）（OArCH（2）Ar'（O）C（R）的配合物）HArO）（2）（OR'）（2）（R = H，Me; R'= i-Pr或t-Bu）。非手性三酚（R = H； R'= t-Bu）钛配合物的X射线晶体结构表明，三酚盐配体采用不对称（因此是手性）构象，其中eta（2）配位为一个金属中心和与第二金属中心的eta（1）坐标。手性三酚 包含一个立体异构中心（在上面使用的简写形式表示为C），以类似的方式配位钛，仅生成一种非对映异构体（可能为四种）；因此，立体中心的构型控制了结合
• HIGHLY ACTIVE CATALYSTS FOR ALKYLENE OXIDE POLYMERIZATION
  申请人：Wasserman Eric P.

  公开号：US20100197873A1

  公开（公告）日：2010-08-05

  The reaction product of the reaction product of A.) a ligand of the formula (I), wherein R 1 , R 2 , R 3 , and R 4 in each occurrence independently are the same or different hydrocarbyl substituents of 1 to 20 carbon atoms, hydrogen, halogen, or alkoxy groups of 1 to 8 carbon atoms; X in each occurrence independently is CR 6 with R 6 being hydrogen or an alkyl group of 1 to 8 carbon atoms; and R 5 is an organic divalent group of 4 to 40 carbon atoms with the proviso that the two nodes X are not bound to the same atom or to vicinal atoms in the group R 5 ; B.) an aluminum compound of the formula AlR 7 R 8 R 9 , wherein R 7 , R 8 and R 9 each independently is a C 1 to C 12 hydrocarbyl group, hydrogen, halogen, or an alkoxy group of 1 to 20 carbon atoms; and C.) a Lewis base selected from the group consisting of amines, phosphines, amides, nitriles, isonitriles, and alcohols is useful as a polymerization catalyst, particularly for the homopolymerization or copolymerization of an alkylene oxide.

  化学反应产物为：A）配体的反应产物，其化学式为(I)，其中R1、R2、R3和R4在每次出现时独立地为1至20个碳原子的相同或不同的烃基取代基、氢、卤素或1至8个碳原子的烷氧基；X在每次出现时独立地为CR6，其中R6为氢或1至8个碳原子的烷基；而R5为有机二价基团，含有4至40个碳原子，但两个节点X不结合在同一原子或相邻的R5基团上；B）铝化合物的反应产物，其化学式为AlR7R8R9，其中R7、R8和R9各自独立地为C1至C12烃基、氢、卤素或1至20个碳原子的烷氧基；C）从胺、膦、酰胺、腈、异腈和醇中选择的路易斯碱作为催化剂，特别适用于烷基氧化物的均聚或共聚反应。
• Zinc/magnesium–sodium/lithium heterobimetallic triphenolates: Synthesis, characterization, and application as catalysts in the ring-opening polymerization of l-lactide and CO2/epoxide coupling
  作者：Yangyang Sun、Lei Wang、Dawei Yu、Ning Tang、Jincai Wu

  DOI：10.1016/j.molcata.2014.06.017

  日期：2014.11

  A series of heterobimetallic complexes supported by a bulky trisphenol ligand were synthesized and characterized. Treatment of 2,6-bis(3,5-bis-t-butyl-2-hydroxybenzyl)-4-t-butyl phenol with 1 equivalent sodium/(BuLi)-Bu-n and 1 equiv. Zn(Et)(2) in THF solution afforded complex 1 or 2; metal complexes 3 and 4 were obtained in quantitative yields by alternating Zn(Et)(2) to Mg(Bu-n)(2). The X-ray structures of 2 and 3 indicated that four metal atoms in the complexes are nearly collinear. Catalysis employing complexes 1-3 for L-lactide (L-LA) was systematically studied, and experimental results showed that 1 and 2 can catalyze the ring-opening polymerization of L-LA in a controlled fashion; what is more, both of these two complexes could catalyze L-LA with high conversion even in an air atmosphere. Complexes 1 and 2 also can effectively catalyze the coupling reaction of carbon dioxide with cyclohexene oxide using n-Bu4NBr/n-Bu4NCl as co-catalysts. (C) 2014 Elsevier B.V. All rights reserved.
• US8273678B2
  申请人：——

  公开号：US8273678B2

  公开（公告）日：2012-09-25