N-(2-hydroxy-3,5-di-tert-butylphenyl)-2-aminobenzylalcohol | 894768-42-4

• 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: N-(2-hydroxy-3,5-di-tert-butylphenyl)-2-aminobenzylalcohol
• 英文别名: 2,4-Ditert-butyl-6-[2-(hydroxymethyl)anilino]phenol；2,4-ditert-butyl-6-[2-(hydroxymethyl)anilino]phenol
• CAS: 894768-42-4
• 化学式: C₂₁H₂₉NO₂
• 分子量: 327.467
• InChiKey: CPODGELMWMYCBI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  52.5
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-(2-hydroxy-3,5-di-tert-butylphenyl)-2-aminobenzylalcohol 在 三乙胺 、 sodium hydroxide 作用下， 以 甲醇 、 乙腈 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  Synthesis, characterization and study on the dissimilar reactivity of a Ni(II)-bis(iminosemiquinone) complex core to ligand-appended hemilabile –CH2OH and –CH2NH2 units

  摘要：

  Noninnocent ligand H3L2CHOH reacted with NiCl2 center dot 6H(2)O under aerial atmosphere and provided corresponding complexes 1 {[Ni-II(HL2CHOH)(2)](0)} and 1a {[Ni-II(L-CHO)(2)](0)} in the presence of Et3N and NaOH, respectively. Ligand H 4 Ln H provided complex 2 {[Ni-II(HL3](0)} in the presence of NiCl2 center dot 6H(2)O and Et3N under air. All the complexes were characterized by various spectroscopic and spectrometric techniques, which included FT-IR, mass, UV-vis/NIR, H-1 NMR, cyclic voltammetry and single crystal X-ray diffraction methods. Molecular structural analyses on complexes 1 and 1a revealed that both four-coordinate complexes were neutral in charge and consisted of two ligand-centered iminosemiquinone radicals and a Ni(II) ion. While, the hemilabile -CH2OH group remained unaffected and did not make any coordination with the central Ni(II) ion in complex 1, twoelectron oxidation of each -CH2OH group to -CHO group was realized in complex la. In complex 2, the ligand backbone was an innocent tetradentate salen unit, which was formed by a complete modification of the initial noninnocent ligand H4L2 (CHNH)(2). To find out the mechanistic path for the formation of complex 2, ligand H(3)L1 and H(4)L2 were also introduced and it was presumed that transimination took place in the ligand backbone during complex 2 formation.

  DOI：

  10.1016/j.ica.2019.119340
• 作为产物：
  描述：

  邻氨基苯甲醇 、 3,5-二叔丁基邻苯二酚 在 三乙胺 作用下， 以 正己烷 为溶剂， 生成 N-(2-hydroxy-3,5-di-tert-butylphenyl)-2-aminobenzylalcohol
  参考文献：
  名称：

  Synthesis, characterization and study on the dissimilar reactivity of a Ni(II)-bis(iminosemiquinone) complex core to ligand-appended hemilabile –CH2OH and –CH2NH2 units

  摘要：

  Noninnocent ligand H3L2CHOH reacted with NiCl2 center dot 6H(2)O under aerial atmosphere and provided corresponding complexes 1 {[Ni-II(HL2CHOH)(2)](0)} and 1a {[Ni-II(L-CHO)(2)](0)} in the presence of Et3N and NaOH, respectively. Ligand H 4 Ln H provided complex 2 {[Ni-II(HL3](0)} in the presence of NiCl2 center dot 6H(2)O and Et3N under air. All the complexes were characterized by various spectroscopic and spectrometric techniques, which included FT-IR, mass, UV-vis/NIR, H-1 NMR, cyclic voltammetry and single crystal X-ray diffraction methods. Molecular structural analyses on complexes 1 and 1a revealed that both four-coordinate complexes were neutral in charge and consisted of two ligand-centered iminosemiquinone radicals and a Ni(II) ion. While, the hemilabile -CH2OH group remained unaffected and did not make any coordination with the central Ni(II) ion in complex 1, twoelectron oxidation of each -CH2OH group to -CHO group was realized in complex la. In complex 2, the ligand backbone was an innocent tetradentate salen unit, which was formed by a complete modification of the initial noninnocent ligand H4L2 (CHNH)(2). To find out the mechanistic path for the formation of complex 2, ligand H(3)L1 and H(4)L2 were also introduced and it was presumed that transimination took place in the ligand backbone during complex 2 formation.

  DOI：

  10.1016/j.ica.2019.119340

文献信息

• A Tetracopper(II)-Tetraradical Cuboidal Core and Its Reactivity as a Functional Model of Phenoxazinone Synthase
  作者：Chandan Mukherjee、Thomas Weyhermüller、Eberhard Bothe、Eva Rentschler、Phalguni Chaudhuri

  DOI：10.1021/ic7012599

  日期：2007.11.1

  with the copper(II) ion. The ligand is noninnocent in the sense that it is readily oxidized in the presence of air to its o-iminobenzosemiquinonato [L*]2- radical form. The crystal structure of the synthesized tetracopper(II)-tetraradical complex [CuII4(L*)4] (1), has been determined by X-ray crystallography at 100 K. Variable-temperature (2-290 K) magnetic susceptibility measurements of complex 1 containing

  研究了三齿配体N-（2-羟基-3,5-二叔丁基苯基）-2-氨基苄醇H3L与铜（II）离子的配位化学。配体在空气存在下容易被氧化成其邻亚氨基苯并半醌基为[L *] 2-自由基形式的意义上是无毒的。合成的四铜（II）-四自由基配合物[CuII4（L *）4]（1）的晶体结构已通过X射线晶体学在100 K下确定。包含八个顺磁中心的复合体1将自旋基态确定为由反铁磁相互作用引起的反磁性（St = 0）。电化学测量（循环伏安图和方波伏安图）表明，在金属中心还原之前，配体发生了四次单电子还原。发现复合物1催化2-氨基苯酚的空中氧化为2-氨基-苯恶嗪-3-酮，从而模拟了含铜酶苯恶嗪酮合酶的催化功能。动力学测量连同电子顺磁共振和电子光谱研究已被用于破译2-氨基苯酚的复杂六电子氧化偶联。提出了自由基的“开-关”机理以及金属中心的氧化还原参与，以用于催化氧化过程。动力学测量连同电子顺磁共振和电子光谱研究已被用于
• A trinuclear complex containing Mn^IIMn^IIIMn^IV, radicals, quinone and chloride ligands potentially relevant to PS II
  作者：Chandan Mukherjee、Thomas Weyhermüller、Karl Wieghardt、Phalguni Chaudhuri

  DOI：10.1039/b601581f

  日期：——

  Reaction of MnCl2 with a non-innocent ligand H3L results in an unprecedented mixed-valence trinuclear complex [MnIIMnIIIMnIV(L)(L˙)2(LIQ)Cl] whose structural and magnetic properties are described.

  MnCl2 与非无害配体 H3L 的反应产生了前所未有的混合价三核配合物 [MnIIMnIIIMnIV(L)(L˙)2(LIQ)Cl]，其结构和磁性特性已被描述。