2-[[[[3,5-bis-chloro-2-hydroxyphenyl]methyl][2-(dimethylamino)ethyl]amino]methyl]-4,6-di-tert-butylphenol | 1593874-56-6

• 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: 2-[[[[3,5-bis-chloro-2-hydroxyphenyl]methyl][2-(dimethylamino)ethyl]amino]methyl]-4,6-di-tert-butylphenol
• 英文别名: 2,4-Ditert-butyl-6-[[(3,5-dichloro-2-hydroxyphenyl)methyl-[2-(dimethylamino)ethyl]amino]methyl]phenol；2,4-ditert-butyl-6-[[(3,5-dichloro-2-hydroxyphenyl)methyl-[2-(dimethylamino)ethyl]amino]methyl]phenol
• CAS: 1593874-56-6
• 化学式: C₂₆H₃₈Cl₂N₂O₂
• 分子量: 481.506
• InChiKey: GLPUSRFTKSJMFN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  32
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  46.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-[[[[3,5-bis-chloro-2-hydroxyphenyl]methyl][2-(dimethylamino)ethyl]amino]methyl]-4,6-di-tert-butylphenol 、 四苄基锆 以 甲苯 为溶剂， 反应 5.0h， 以48%的产率得到
  参考文献：
  名称：

  Bimetallic Zirconium Amine Bis(phenolate) Polymerization Catalysts: Enhanced Activity and Tacticity Control for Polyolefin Synthesis

  摘要：

  Binucleating multidentate amine bis(phenolate) ligands with rigid terphenyl backbones were designed to support two zirconium centers locked in dose proximity. Polymerizations of propylene or 1-hexene with the synthesized bimetallic precatalysts resulted in polymers with significantly higher isotacticity (up to 79% mmmm) in comparison to the stereoirregular polymers produced with previously reported C-5-symmetric monometallic analogues. The bimetallic precatalysts also display higher activity (up to 124 kg of poly(1-hexene) (mmol of Zr)(-1) h(-1)), in comparison to the monometallic analogues, and among the highest activities reported for nonmetallocene catalysts. The stereocontrol is consistent with a bimetallic mechanism involving remote steric interactions with the ligand sphere of the second metal center.

  DOI：

  10.1021/om500608j
• 作为产物：
  描述：

  2,4-dichlorido-6-((2-(dimethylamino)ethylimino)methyl)phenol 在 sodium tetrahydroborate 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 2.0h， 生成 2-[[[[3,5-bis-chloro-2-hydroxyphenyl]methyl][2-(dimethylamino)ethyl]amino]methyl]-4,6-di-tert-butylphenol
  参考文献：
  名称：

  Bimetallic Zirconium Amine Bis(phenolate) Polymerization Catalysts: Enhanced Activity and Tacticity Control for Polyolefin Synthesis

  摘要：

  Binucleating multidentate amine bis(phenolate) ligands with rigid terphenyl backbones were designed to support two zirconium centers locked in dose proximity. Polymerizations of propylene or 1-hexene with the synthesized bimetallic precatalysts resulted in polymers with significantly higher isotacticity (up to 79% mmmm) in comparison to the stereoirregular polymers produced with previously reported C-5-symmetric monometallic analogues. The bimetallic precatalysts also display higher activity (up to 124 kg of poly(1-hexene) (mmol of Zr)(-1) h(-1)), in comparison to the monometallic analogues, and among the highest activities reported for nonmetallocene catalysts. The stereocontrol is consistent with a bimetallic mechanism involving remote steric interactions with the ligand sphere of the second metal center.

  DOI：

  10.1021/om500608j

文献信息

• New diamino-diheterophenol ligands coordinate iron(<scp>iii</scp>) to make structural and functional models of protocatechuate 3,4-dioxygenase
  作者：Joshua R. Farrell、Jonathan A. Niconchuk、Peter R. Renehan、Christine S. Higham、Eric Yoon、Mark V. Andrews、Janet L. Shaw、Anil Cetin、James Engle、Christopher J. Ziegler

  DOI：10.1039/c3dt53431f

  日期：——

  Three five-coordinate Fe(iii) complexes were prepared that are functional and structural models for the enzyme Protocatechuate 3,4-dioxygenase (3,4-PCD).

  制备了三种五配位的 Fe(III) 配合物，它们是酶原儿茶酸 3,4-双加氧酶 (3,4-PCD) 的功能和结构模型。
• Bimetallic Zirconium Amine Bis(phenolate) Polymerization Catalysts: Enhanced Activity and Tacticity Control for Polyolefin Synthesis
  作者：Madalyn R. Radlauer、Theodor Agapie

  DOI：10.1021/om500608j

  日期：2014.7.14

  Binucleating multidentate amine bis(phenolate) ligands with rigid terphenyl backbones were designed to support two zirconium centers locked in dose proximity. Polymerizations of propylene or 1-hexene with the synthesized bimetallic precatalysts resulted in polymers with significantly higher isotacticity (up to 79% mmmm) in comparison to the stereoirregular polymers produced with previously reported C-5-symmetric monometallic analogues. The bimetallic precatalysts also display higher activity (up to 124 kg of poly(1-hexene) (mmol of Zr)(-1) h(-1)), in comparison to the monometallic analogues, and among the highest activities reported for nonmetallocene catalysts. The stereocontrol is consistent with a bimetallic mechanism involving remote steric interactions with the ligand sphere of the second metal center.