3,5-tBu2-2-(OH)C6H2CH2NH(2,6-Me2C6H3) | 223414-21-9

• 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: 3,5-tBu2-2-(OH)C6H2CH2NH(2,6-Me2C6H3)
• 英文别名: 2,6-Me2-C6H4NHCH2(3,5-(t)Bu2-C6H2-2-OH)；2,4-ditert-butyl-6-[(2,6-dimethylanilino)methyl]phenol
• CAS: 223414-21-9
• 化学式: C₂₃H₃₃NO
• 分子量: 339.521
• InChiKey: GSUHXJKMTXZODI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  32.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3,5-tBu2-2-(OH)C6H2CH2NH(2,6-Me2C6H3) 、 bis(dimethylamido)titanium(IV) dichloride 以 甲苯 为溶剂， 生成
  参考文献：
  名称：

  Highly Active Titanium-Based Olefin Polymerization Catalysts Supported by Bidentate Phenoxyamide Ligands

  摘要：

  Phenoxyamide complexes of Ti-containing 2,6-X2C6H3 (X = Cl, Br) substituents, when activated by methyl aluminoxane, afford catalysts with very high activities for the polymerization of ethylene and with good incorporation of 1-hexene.

  DOI：

  10.1021/ic060146k
• 作为产物：
  描述：

  N-2,6-dimethylphenyl-3,5-(t-Bu)2-salicylaldimine 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 生成 3,5-tBu2-2-(OH)C6H2CH2NH(2,6-Me2C6H3)
  参考文献：
  名称：

  一种不寻常的 N 桥（酰胺）（氢化）（酚氧化）铝双核化合物 - 氮取代基在确定核中的作用：一项联合实验和理论研究

  摘要：

  亚氨基苯酚 3,5-tBu 2 -2-(OH)C 6 H 2 CH=NR 和氨基苯酚 3,5-tBu 2 -2-(OH)C 6 H 2 CH 2 -NHR (R = tBu, 2 ,6-Me 2 C 6 H 3 、C 6 F 5 )通过适当的合成方法以良好的产率制备。这些化合物与 AlH 3 ·NEtMe 2 在甲苯中的反应得到单核 [AlH{3,5-tBu 2 -2-(O)C 6 H 2 CH 2 -NR}·NEtMe 2 ] [R = 2,6- Me 2 C 6 H 3 (3), C 6 F 5 (4)] 或双核 [AlH{μ-3,5-tBu 2 -2-(O)C 6 H 2 CH 2 -NtBu}] 2 (5 ) 酚酰氨基铝衍生物。所有合成的配合物均通过核磁共振光谱和分析方法进行表征。5 的 X 射线结构显示了一个双核分子，其中铝中心通过 μ 2 -N（酰氨基）原子异常连接以形成中心平面

  DOI：

  10.1002/ejic.200901129

文献信息

• Monocyclopentadienyl Phenoxido–Amino and Phenoxido–Amido Titanium Complexes: Synthesis, Characterisation, and Reactivity of Asymmetric Metal Centre Derivatives
  作者：Giuseppe Alesso、Martial Sanz、Marta E. G. Mosquera、Tomás Cuenca

  DOI：10.1002/ejic.200800553

  日期：2008.10

  /ethyl ether solution. The reaction of TiCpCl 3 with 2a in the presence of 2.5 equiv. of NEt 3 in a polar solvent (thf, CH 2 Cl 2 or toluene) at room temperature affords TiCp[Ph(H)NCH2(3,5-tBu 2 C 6 H 2 -2-O)]Cl (6a) as a mixture of two stereoisomers. All the reported compounds were characterised by the usual analytical and spectroscopic methods and the molecular structures of 2a, 2d, 2e and 3d were

  酚亚胺衍生物的还原 R'N=CH(3,5-R 2 C 6 H 2 -2-OH) (R = tBu; R' = C 6 H 5 la, p-MeC 6 H 4 1b, Cy 1c, tBu 1d, 2,6-Me 2 C 6 H 3 1e；R = H；R' = p-MeC 6 H 4 1f；Cy = 环己基）与 MBH 4 (M = Li, Na) 或 AlLiH 4 in乙醚或 thf 在室温下得到苯酚-胺化合物 R'NHCH2(3,5-R2C 6 H 2 -2-OH) 2a-c 和 2e,f。NR-[2,4-二-叔丁基]苯并-1-oxa-3-azine物质（R = tBu 2dl, 2,6-Me 2 C 6 H 3 2el）通过2的曼尼希反应获得， 4-二叔丁基苯酚与 RNH 2 在回流甲醇中。中间体2dl在室温下在乙醇中转化为N-叔丁基[2-羟基-3,5-二-叔丁基]苄胺(2d)，而2e
• The surprisingly beneficial effect of soft donors on the performance of early transition metal olefin polymerisation catalysts
  作者：Daniel C. H. Oakes、Brian S. Kimberley、Vernon C. Gibson、David J. Jones、Andrew J. P. White、David J. Williams

  DOI：10.1039/b409870f

  日期：——

  Group 4 metal complexes containing phenoxy-amide ligands bearing soft pendant donors are shown to give more highly active ethylene polymerisation catalysts than counterparts containing hard donors or systems without a pendant donor.

  含有带有软侧给体的苯氧基酰胺配体的第4族金属配合物显示出比含有硬给体或没有侧给体的系统的对应物提供更高活性的乙烯聚合催化剂。
• Effect of the Nitrogen Substituent on the Reactions of Alane towards Imino‐ and Aminophenols: Generation of a Dinuclear Aluminoxane
  作者：Gema Martínez、Tomás Cuenca、Marta E. G. Mosquera

  DOI：10.1002/ejic.201200255

  日期：2012.8

  }] [R = C6F5 (4a), 2,6-Me2C6H3 (4b)]. When the substituent on the nitrogen is 2,6-Me2C6H3, it is possible to isolate the bis(phenoxido-imino) hydride [AlH3,5-tBu2–2-(O)C6H2CH=N–2,6-Me2C6H3}2] (3) if the reaction is performed at low temperature. Compound 4a is converted in wet toluene at room temperature readily and quantitatively into the aluminoxane [(Al3,5-tBu2–2-(O)C6H2CH=NC6F5}3,5-tBu2–2-(O

  AlH3·NEtMe2 与水杨醛亚胺反应 3,5-tBu2–2-(OH)C6H2CH=NR [R = C6F5 (1a), 2,6-Me2C6H3 (1b); 0.5 equiv.] 得到双酚基-氨基-亚氨基化合物 [Al3,5-tBu2–2-(O)C6H2CH=NR}3,5-tBu2–2-(O)C6H2CH2–NR}] [R = C6F5 (4a), 2,6-Me2C6H3 (4b)]。当氮上的取代基为 2,6-Me2C6H3 时，可分离出双（苯氧基-亚氨基）氢化物 [AlH3,5-tBu2–2-(O)C6H2CH=N–2,6-Me2C6H3} 2] (3) 如果反应在低温下进行。化合物 4a 在室温下在湿甲苯中很容易和定量地转化为铝氧烷 [(Al3,5-tBu2–2-(O)C6H2CH=NC6F5}3,5-tBu2–2-(O)C6H2CH2–NHC6F5 })2O] (5).
• Polymerisation catalysts
  申请人：INEOS EUROPE LIMITED

  公开号：EP1767549A1

  公开（公告）日：2007-03-28

  A complex compound comprising the skeletal unit of Formula A wherein the ring C(R') -A1-A2-(A3)x-C(R2) -C- has delocalised unsaturation, A1, A2 and A3 can be substituted with hydrogen, alkyl, aryl, halogen, and heterocyclic groups containing at least one N, S or O in a carbon ring; A1, A2 and A3 are carbon, nitrogen or oxygen, R1 and R2 are hydrocarbyl, chlorine, bromine or iodine, at least one R1 and R2 is halogen, x is zero or 1, O is oxygen, E is nitrogen, phosphorus or arsenic, Q is a divalent bridging organic group optionally comprising one or more other Group 14 atoms; X is a monovalent atom or group covalently or ionically bonded to M; L is a mono- or bidentate molecule datively bound to M, x satisfies the valency of M and z is from 0 to 5. The complex can be used to polymerise olefins optionally with organo-A1 or -B compounds as activator.

  由式A的骨架单元组成的复杂化合物，其中环C（R'）-A1-A2-（A3）x-C（R2）-C具有离域不饱和度，A1，A2和A3可以用氢，烷基，芳基，卤素和含有至少一个N，S或O的杂环基团替代; A1，A2和A3是碳，氮或氧，R1和R2是烃基，氯，溴或碘，至少有一个R1和R2是卤素，x为零或1，O为氧，E为氮，磷或砷，Q是一个二价的桥接有机基团，可选地包括一个或多个其他14族元素; X是与M共价或离子键合的一价原子或基团; L是单价或双价分子，以M为受体键合，x满足M的化合价，z为0到5。该复合物可用于聚合烯烃，可选地与有机A1或B化合物作为活化剂。
• Synthesis and Characterization of Lanthanide Amides Bearing Aminophenoxy Ligands and Their Catalytic Activity for the Polymerization of Lactides
  作者：Jie Zhang、Jinshui Qiu、Yingming Yao、Yong Zhang、Yaorong Wang、Qi Shen

  DOI：10.1021/om300036a

  日期：2012.4.23

  A series of neutral lanthanide complexes supported by aminophenoxy ligands were synthesized, and their catalytic behavior in the polymerization of L-lactide and roc-lactide was explored. The amine elimination reactions of equimolar amounts of Ln[N(TMS)(2)](3)(mu-Cl)Li(THF)(3) and aminophenol [HONH](1) [HONH](1) = 2,6-Me-2-C6H4NHCH2(3,5-Bn-t(2)-C6H2-2-OH)} in toluene gave the dimeric lanthanide complexes [ON](1)Ln[ONH](1)}(2) (Ln = La (1), Nd (2)), whereas the similar reactions of La[N(TMS)(2)](3)(THF)(2) or Ln[N(TMS)(2)](3)(mu-Cl)Li(THF)(3) (Ln = Nd, Sm) with the aminophenols [HONH](2) [HONH](2) = (o-OCH3-C6H4)NHCH2(3,5-Bu-t(2)-C6H2-2-OH} and [HONH](3) ([HONH](3) = (NC5H4)NHCH2(3,5-Bu-t(2)-C6H2-2-OH)} generated the neutral aminophenoxy lanthanide amides [ON](2)Ln[N(TMS)(2)]}(2) [Ln = La (3), Nd (4), Sm (5)) and [ON](3)Ln[N(TMS)(2)](THF)}(2) [Ln = La (6), Nd (7), Sm (8)), respectively, in high isolated yields. These complexes have been fully characterized. X-ray structural determination revealed that complexes 1 and 2 have unsolvated centrosymmetric dimeric structures, in which one hydrogen atom belonging to the amino group of the ligand is reserved. Complexes 3-5 are isostructural and have an unsolvated dimeric structure. The coordination geometry around each of the lanthanide metal atoms can be described as a distorted trigonal bipyramid. Complexes 6 and 7 have a solvated dimeric structure, and the lanthanide metal centers have distorted capped trigonal-prismatic geometries. It was found that complexes 3-8 are highly efficient initiators for the ring-opening polymerization of L-lactide and rac-lactide, affording polymers with high molecular weights.