2,4-dibromo-6-[(2-dimethylaminoethylimino)methyl]phenol | 118091-50-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2,4-dibromo-6-[(2-dimethylaminoethylimino)methyl]phenol
• 英文别名: 2,4-dibromo-6-[2-(dimethylamino)ethyliminomethyl]phenol
• CAS: 118091-50-2
• 化学式: C₁₁H₁₄Br₂N₂O
• 分子量: 350.053
• InChiKey: ROOXRDJSOHFLKE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  35.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,4-dibromo-6-[(2-dimethylaminoethylimino)methyl]phenol 在 sodium tetrahydroborate 、 盐酸 作用下， 以 甲醇 、 水 为溶剂， 反应 2.0h， 以98%的产率得到2,4-dibromo-6-(((2-(dimethylamino)ethyl)amino)methyl)phenol
  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：

  3,5-二溴水杨醛 、 N,N-二甲基乙二胺 以 甲醇 为溶剂， 反应 0.5h， 以98%的产率得到2,4-dibromo-6-[(2-dimethylaminoethylimino)methyl]phenol
  参考文献：
  名称：

  Synthesis, crystal structures and xanthine oxidase inhibitory activities of two copper(II) complexes with Schiff bases

  摘要：

  两种叠氮配位的希夫碱 Cu(II) 复合物，其式分别为[Cu(L1)(N3)]-MeOH 和 [Cu(L2)(μ1,1-N3)] n，其中 L1 是 2-氯-2-[(2-乙氨基乙基亚氨基)甲基]苯酚的去质子化形式，L2 是 2,4-二溴-6-[(2-二甲氨基乙基亚氨基)甲基]苯酚的去质子化形式、和 L2 是 2,4-二溴-6-[(2-二甲基氨基乙基亚氨基)甲基]苯酚的去质子化形式。两种复合物的 X 射线晶体结构均已确定。Cu(L1)(N3)]-MeOH中的铜原子为四配位，呈正方形平面几何结构，而[Cu(L2)(μ1,1-N3)]n则为五配位，呈正方形金字塔几何结构。Cu(L1)(N3)]-MeOH 中的分子通过分子间 O-H-O 和 N-H-O 氢键相连，形成二聚体。Cu(L2)(μ1,1-N3)]n中的分子通过端对叠氮桥连接，形成一维链。对这两种复合物的黄嘌呤氧化酶抑制活性进行了评估。

  DOI：

  10.1007/s11243-009-9309-6

文献信息

• Synthesis, molecular docking and biological evaluation of Schiff base transition metal complexes as potential urease inhibitors
  作者：Wu Chen、Yuguang Li、Yongming Cui、Xian Zhang、Hai-Liang Zhu、Qingfu Zeng

  DOI：10.1016/j.ejmech.2010.07.007

  日期：2010.10

  Six transition metal compounds of Schiff base ligands were evaluated for the inhibitory activity on jack bean urease, of which compounds 2-6 were determined by single crystal X-ray analysis. It was found that copper(II) complexes 1 and 4 showed strong inhibitory activity against jack bean urease (IC50 = 0.52 and 0.46 mu M). compared with acetohydroxamic acid (IC50 = 42.12 mu M) as a positive reference Cobalt(II), nickel(II) and zinc(II) compounds also exhibited potent inhibitory activity (IC50 = 3.88-25.20 mu M). A docking analysis using the AUTODOCK 4.0 program could explain the inhibitory activities of 1 and 4 against urease. (C) 2010 Elsevier Masson SAS All rights reserved.