H2L(Bu) | 944909-46-0

• 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: H2L(Bu)
• 英文别名: 2,4-Ditert-butyl-6-[[butyl-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]amino]methyl]phenol；2,4-ditert-butyl-6-[[butyl-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]amino]methyl]phenol
• CAS: 944909-46-0
• 化学式: C₃₄H₅₅NO₂
• 分子量: 509.816
• InChiKey: GTTIWEIYABGFLW-UHFFFAOYSA-N

物化性质

• 熔点：
  102.6 °C(Solv: dichloromethane (75-09-2); methanol (67-56-1))
• 沸点：
  529.5±45.0 °C(Predicted)
• 密度：
  0.980±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  10.5
• 重原子数：
  37
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  43.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  H2L(Bu) 、 四苄基锆 以 甲苯 为溶剂， 反应 2.25h， 以90%的产率得到
  参考文献：
  名称：

  Zirconium catalysed intermolecular hydroamination reactions of secondary amines with alkynes

  摘要：

  报道了第一个能够介导次芳香胺间分子间氢胺化反应的第四族金属催化剂的例子。

  DOI：

  10.1039/c5cc01780g
• 作为产物：
  描述：

  聚合甲醛 、 2,4-二叔丁基苯酚 、 正丁胺 生成 H2L(Bu)
  参考文献：
  名称：

  Zirconium complexes stabilized by amine-bridged bis(phenolato) ligands as precatalysts for intermolecular hydroamination reactions

  摘要：

  由胺桥联的双(酚ato)配体稳定的五配位锆配合物 5 和 7 比六配位的配合物 1–4 在催化分子间氢氨化反应时更为活跃。

  DOI：

  10.1039/c5dt02643a

文献信息

• Regioselective addition of C(sp³)–H bonds of alkyl pyridines to olefins catalysed by cationic zirconium complexes
  作者：Qiu Sun、Peipei Xie、Dan Yuan、Yuanzhi Xia、Yingming Yao

  DOI：10.1039/c7cc03263c

  日期：——

  In situ generated cationic zirconium complexes stabilized by amine-bridged bis(phenolato) ligands have been developed to catalyse C(sp3)–H addition of alkyl pyridines to olefins, which are the first examples of group 4 metal based catalysts in this transformation. Ligand-controlled regioselectivity was observed, which was verified by DFT study.

  通过胺桥双（酚基）配体稳定化的原位生成的阳离子锆络合物已经被开发出来，可以催化烷基吡啶的C（sp 3）-H加成反应到烯烃中，这是该转化中第4类金属基催化剂的第一个例子。观察到配体控制的区域选择性，这通过DFT研究证实。
• Addition of C–H Bonds of Pyridine Derivatives to Alkenes Catalyzed by Zirconium Complexes Bearing Amine-Bridged Bis(phenolato) Ligands
  作者：Qiu Sun、Ping Chen、Yaorong Wang、Yunjie Luo、Dan Yuan、Yingming Yao

  DOI：10.1021/acs.inorgchem.8b01959

  日期：2018.9.17

  Cationic zirconium complexes in situ generated from zirconium dibenzyl complexes bearing amine-bridged bis(phenolato) ligands have been developed to catalyze addition of C(sp2)–H and C(sp3)–H bonds of pyridine derivatives to alkenes. A series of zirconium complexes bearing different ligands have been synthesized, and their activities in catalyzing addition of C(sp3)–H bonds of pyridine derivatives to alkenes

  由带有胺桥联双（酚基）配体的二苄基锆二茂锆原位生成的阳离子锆络合物已被开发用于催化吡啶衍生物与烯烃的C（sp 2）-H和C（sp 3）-H键加成。合成了一系列带有不同配体的锆配合物，并研究了它们在催化吡啶衍生物的C（sp 3）-H键加成到烯烃中的活性。反应活性和区域选择性都受配体主链的电子和空间特性影响。此外，已分离出阳离子锆络合物，并对其结构进行了表征，以阐明某些反应机理。
• Synthesis, crystal structures and catalytic oxidation of aromatic hydrocarbons by oxovanadium(V) complexes of aminebis(phenolate) ligands
  作者：Dipankar Maity、Jaromir Marek、W.S. Sheldrick、H. Mayer-Figge、Mahammad Ali

  DOI：10.1016/j.molcata.2007.01.041

  日期：2007.6

  The coordination chemistry of two aminebis(phenolate) ligands (H2L1 and H2L2) around vanadium(V) is described. Vanadium(V) oxo complexes (1, 2 and 3) of all the ligands were obtained readily by the reaction between the ligand precursors and [VO(acac)2]. Single crystal X-ray structure analysis showed that all of the complexes are penta-coordinated with trigonal bipyramidal geometry in NO4 coordination

  描述了钒（V）周围的两个氨基双（酚盐）配体（H 2 L 1和H 2 L 2）的配位化学。钒（V）氧络合物（1，2和3的所有配体的）由配位体前体和[VO（ACAC）之间的反应容易地得到2 ]。单晶X射线结构分析表明，在NO 4中所有配合物均与三角双锥体几何体五配位协调环境。各个配体的三脚架氮原子和单齿烷氧基占据顶部位置。这些络合物在结构上非常类似于钒卤代过氧化物酶（VHPO）的活性位点，并被发现催化甲苯氧化为苯甲酸和二甲苯的异构体氧化为相应的羟基酸，其转换数范围为134至188。光谱提出了催化过程的机理是通过羟基-氢过氧中间体的形成来进行的，这不同于卤代过氧化物酶反应。
• Synthesis and structural characterization of novel mixed-valent samarium and divalent ytterbium and europium complexes supported by amine bis(phenolate) ligands
  作者：Huadong Guo、Hui Zhou、Yingming Yao、Yong Zhang、Qi Shen

  DOI：10.1039/b705353c

  日期：——

  bis(phenol)s L1H2 as the reagent, the novel mixed-valent samarium complex SmIII2SmIIL142 was prepared by the same reaction. Both reactions of L1H2 with Yb[N(SiMe3)2]2(THF)2 and Eu[N(SiMe3)2]2(THF)2 yielded the normal divalent lanthanide complexes: monomeric complex for Yb(II), YbL1(THF)33 and dimeric complex for Eu(II), (EuL1)24. All of the complexes are well characterized with elemental analyses, IR and

  这 胺Ln [N（SiMe 3）2 ] 2（THF）2 （Ln = Sm，Yb和Eu）与胺双酚（L 1 H 2 = [Bu n N（CH 2 -2-） OC6H 2 -3,5-卜吨2）2 1 H 2，L 2 ħ 2 = [我2 NCH 2 CH 2 N（CH 2 -2-OC 6 H ^ 2 -3,5-卜吨2）2 ]高2）进行了调查。发现杂原子数目在配体对the系统的反应结果有深远的影响。四齿二氨基双（酚）L 2 H 2与Sm [N（SiMe 3）2 ] 2（THF）2的反应产生黄色溶液，表明Sm（II）物种被完全氧化，黄色Sm（III）物种的特征颜色，同时与Eu [N（SiMe 3）2 ] 2（THF）2进行相同反应，得到具有二聚结构（EuL 2）2 1的二价络合物。使用三齿胺双酚1以H 2为试剂，通过相同反应制备新型混合价mixed络合物Sm III 2 Sm II L 1 4 2。L 1
• Synthesis and characterization of binuclear [ONXO]-type amine-bis(phenolate) copper(II) complexes
  作者：Elham Safaei、Maryam Rasouli、Thomas Weyhermüller、Eckhard Bill

  DOI：10.1016/j.ica.2011.04.048

  日期：2011.9

  Dimeric copper(II) complexes [(Cu2L2)-L-II] of a series of amine-bis(phenolate) ligands (H2L) bearing different non- or weakly coordinating side-arms such as ethyl (H2LEt), n-butyl (H2LBu), thiomethyl (H2LSMe) and hydroxyl (H2LOH) were synthesized. They were characterized by X-ray crystallography, UV-Vis, IR and magnetic susceptibility measurements. X-ray analysis revealed complexes in which Cu(II) centers are surrounded by three phenolate oxygen atoms, an amine nitrogen atom and thiomethyl and hydroxyl coordinating groups in Cu2L2SMe and Cu2L2OH, respectively. Two phenolate bridges hold both copper atoms together to form binuclear [(Cu2L2)-L-II] complexes. To the best of our knowledge, Cu center dot center dot center dot Cu distances and Cu-O-Cu bridge angles of these complexes are the smallest values, which have been reported for phenoxo-bridged copper complexes to date. Phenolate moieties of the copper complexes can be electrochemically oxidized to phenoxyl radicals. Magnetic studies show that Cu2L2Et and Cu2L2Bu are rare examples of phenolato-bridged Cu(II) dimer exhibiting ferromagnetic interaction (J = +26.62 and +38.65 cm (1) respectively). In addition, an antiferromagnetic exchange with J values of -65.88 and -2.77 cm (1) was found for Cu2L2SMe and Cu2L2OH, respectively. (C) 2011 Elsevier B.V. All rights reserved.