2-tert-butyl-6-[(quinolin-8-ylamino)methyl]phenol | 1133363-17-3

• 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-tert-butyl-6-[(quinolin-8-ylamino)methyl]phenol
• 英文别名: qamphH
• CAS: 1133363-17-3
• 化学式: C₂₀H₂₂N₂O
• 分子量: 306.407
• InChiKey: CEXXMNRQPFKNOR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 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：

  氯化铪(IV)四氢呋喃络合物 、 2-tert-butyl-6-[(quinolin-8-ylamino)methyl]phenol 在 potassium tert-butoxide 作用下， 以 四氢呋喃 为溶剂， 以87%的产率得到(2-tert-butyl-6-[(quinolin-8-ylamino)methyl]phenolato)trichlorohafnium(IV)
  参考文献：
  名称：

  Synthesis and olefin polymerization activity of (quinolin-8-ylamino)phenolate and (quinolin-8-ylamido)phenolate Group 4 metal complexes

  摘要：

  New Zr and Hf complexes bearing either a tridentate monoanionic 2-tert-butyl-6-[(quinolin-8-ylamino) methyl]phenolate [N,N,O-] or a dianionic 2-tert-butyl-6-[(quinolin-8 ylamido)methyl]phenolate [N,N-,O-] ligand have been synthesized and characterized. The geometries of the zirconium complexes have been studied using DFT methods. The complexes were tested as catalysts in the polymerization of ethylene and alpha-olefins after activation with methylalumoxane, resulting in the production, with moderate activities, of high molecular weight linear polyethylene and prevailingly isotactic polypropylene, poly(1-butene), poly(1-pentene) and poly(1-hexene). The content of isotactic pentads of these poly(alpha-olefins) increases while the size of the monomer increases, ranging between 50% for polypropylene and 99% for poly(1-hexene). (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcata.2011.09.023

文献信息

• Scandium complexes with [N,N,Cp] and [N,N,O] donor-set ancillary ligands as catalysts in olefin polymerization
  作者：Gino Paolucci、Marco Bortoluzzi、Mariagrazia Napoli、Pasquale Longo

  DOI：10.1016/j.molcata.2008.03.009

  日期：2008.5

  synthesized and characterized by NMR and mass spectrometry. The comparative results of the catalytic behavior of these scandium complexes towards ethylene and butadiene polymerization are reported and explained on the basis of the electronic and steric properties of the ancillary ligands.

  新的Sc（III）氯配合物[ScCl 2（NNCp）（THF）]（1），[ScCl 2（NNO）（THF）]（2）和[ScCl 2（NNHO）（THF）]（3） NNCp ＝ 6-环戊二烯基甲基-吡啶-2-基亚甲基）-（2，6-二异丙基-苯基）-胺；NNO = 2-叔丁基-6-（（喹啉-8-亚氨基）甲基）酚盐）; 已经合成了NNHO ＝ 2-叔丁基-6-（（喹啉-8-基氨基）甲基）酚盐}，并通过NMR和质谱表征。这些scan络合物对乙烯和丁二烯聚合反应的催化性能的比较结果已被报道并根据辅助配体的电子和空间特性进行了解释。