2-(8-aminoquinolino)-4,6-di-tert-butylphenol | 672952-82-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 2-(8-aminoquinolino)-4,6-di-tert-butylphenol
• 英文别名: 6-(8-quinolylamino)-2,4-bis(tert-butyl)phenol；2,4-Di-tert-butyl-6-[(quinolin-8-yl)amino]phenol；2,4-ditert-butyl-6-(quinolin-8-ylamino)phenol
• CAS: 672952-82-8
• 化学式: C₂₃H₂₈N₂O
• 分子量: 348.488
• InChiKey: GPDWUZAUHXUWRI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  45.2
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  iron(II) perchlorate hexahydrate 、 2-(8-aminoquinolino)-4,6-di-tert-butylphenol 在 Et₃N 、 air 作用下， 以 乙腈 为溶剂， 以66%的产率得到[Fe(2-(8-iminoquinolino)-4,6-di-tert-butylsemiquinonato)2](PF6)*0.5H2O
  参考文献：
  名称：

  Min, Kil Sik; Weyhermueller, Thomas; Wieghardt, Karl, Dalton Transactions, 2004, # 1, p. 178 - 186

  摘要：

  DOI：
• 作为产物：
  描述：

  8-氨基喹啉 、 3,5-二叔丁基邻苯二酚 在 三乙胺 作用下， 以 正庚烷 为溶剂， 反应 48.0h， 以35%的产率得到2-(8-aminoquinolino)-4,6-di-tert-butylphenol
  参考文献：
  名称：

  Min, Kil Sik; Weyhermueller, Thomas; Wieghardt, Karl, Dalton Transactions, 2004, # 1, p. 178 - 186

  摘要：

  DOI：

文献信息

• Structure, magnetic properties and electronic structure of a nickel(II) complex with redox-active 6-(8-quinolylamino)-2,4-bis(tert-butyl)phenol
  作者：Molina A.L. Sheepwash、Alan J. Lough、Lorenzo Poggini、Giordano Poneti、Martin T. Lemaire

  DOI：10.1016/j.poly.2015.06.010

  日期：2016.3

  We report the preparation and electronic structure of a nickel complex 2 containing ligand 6-(8-quinolylamino)-2,4-bis(tert-butyl)phenol 1. The complex is neutral, six-coordinate (pseudo-octahedral) and homoleptic containing two equivalents of 1 and no counteranions. The bond distances measured by single crystal X-ray diffraction studies suggest that the two equivalents of I are bound as mono-anion radicals (iminosemiquinone oxidation state). Variable temperature magnetic susceptibility data indicates a quintet (S = 2) ground state for this complex resulting from ferromagnetic coupling between Ni2+ and the coordinated radical anions. Cyclic voltammetry experiments and UV-Vis-NIR spectroscopy indicate the presence of coordinated iminosemiquinone radicals, and these experimental results are corroborated by density functional theory calculations, which support the proposed assignments. Complex 2 is easily oxidized in the presence of ferrocenium hexafluorophosphate or aerial dioxygen to produce a complex with closed shell ligands and spectroscopic features characteristic of ortho-iminoquinone ligands. (C) 2015 Elsevier Ltd. All rights reserved.
• Min, Kil Sik; Weyhermueller, Thomas; Wieghardt, Karl, Dalton Transactions, 2004, # 1, p. 178 - 186
  作者：Min, Kil Sik、Weyhermueller, Thomas、Wieghardt, Karl

  DOI：——

  日期：——