2-((bis(pyridin-2-ylmethyl)amino)methyl)-4-(tert-butyl)phenol | 1227277-40-8

• 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-((bis(pyridin-2-ylmethyl)amino)methyl)-4-(tert-butyl)phenol
• 英文别名: 2-[[Bis(pyridin-2-ylmethyl)amino]methyl]-4-tert-butylphenol；2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-tert-butylphenol
• CAS: 1227277-40-8
• 化学式: C₂₃H₂₇N₃O
• 分子量: 361.487
• InChiKey: KGDPOFANBJGNJE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  27
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  49.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  iron(III) chloride hexahydrate 、 2-((bis(pyridin-2-ylmethyl)amino)methyl)-4-(tert-butyl)phenol 以 甲醇 为溶剂， 以56%的产率得到Fe[N-(5-tert-butyl-2-hydroxybenzyl)-N,N-di-(2-pyridylmethyl)]amine(-1H)]Cl2
  参考文献：
  名称：

  Mononuclear iron(III) complexes supported by tripodal N3O ligands: Synthesis, structure and reactivity towards DNA cleavage

  摘要：

  A new synthetic route to the known tripodal tetradentate N3O ligand L-1 (HL1 = [N-(3,5-di-tert-butyl-2-hydroxybenzyl)-N,N-di-(2-pyridylmethyl)]amine) is reported. The related compounds HLn (n = 2, 3) were prepared by a similar procedure. Treatment of HLn (n = 1-3) with FeCl3 center dot 6H(2)O in hot methanol led to the mononuclear iron(III) complexes [Fe(Ln)Cl-2] (1: n = 1, 2: n = 2, 3: n = 3). The solid-state structures of complexes 1 and 2 were determined by X-ray crystallography. [Fe(L-1)Cl-2] (1) showed effective nuclease activity in the presence of hydrogen peroxide, converting supercoiled plasmid DNA to its linear form. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2009.12.039
• 作为产物：
  描述：

  5-叔丁基-2-羟基苄基溴 、 二甲基吡啶胺 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 以73%的产率得到2-((bis(pyridin-2-ylmethyl)amino)methyl)-4-(tert-butyl)phenol
  参考文献：
  名称：

  Mononuclear iron(III) complexes supported by tripodal N3O ligands: Synthesis, structure and reactivity towards DNA cleavage

  摘要：

  A new synthetic route to the known tripodal tetradentate N3O ligand L-1 (HL1 = [N-(3,5-di-tert-butyl-2-hydroxybenzyl)-N,N-di-(2-pyridylmethyl)]amine) is reported. The related compounds HLn (n = 2, 3) were prepared by a similar procedure. Treatment of HLn (n = 1-3) with FeCl3 center dot 6H(2)O in hot methanol led to the mononuclear iron(III) complexes [Fe(Ln)Cl-2] (1: n = 1, 2: n = 2, 3: n = 3). The solid-state structures of complexes 1 and 2 were determined by X-ray crystallography. [Fe(L-1)Cl-2] (1) showed effective nuclease activity in the presence of hydrogen peroxide, converting supercoiled plasmid DNA to its linear form. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2009.12.039

文献信息

• Rational Design of Silicon‐Based Zinc Ionophores
  作者：Kei Yamada、Arghya Deb、Veronika M. Shoba、Donghyun Lim、Basudeb Maji、Ashley E. Modell、Amit Choudhary

  DOI：10.1002/anie.202201698

  日期：2022.6.7

  A general approach to rationally design ZnII ionophores from ZnII chelator by incorporation of silyl-based groups is reported. These ionophores were more potent than several reported ZnII ionophores. Furthermore, these ZnII ionophores demonstrated selective antibacterial activity and lower mammalian cell toxicity compared to the known ionophore, pyrithione.

  报道了通过掺入基于甲硅烷基的基团从 Zn II螯合剂合理设计 Zn II离子载体的一般方法。这些离子载体比几种报道的 Zn II离子载体更有效。此外，与已知的离子载体吡啶硫酮相比，这些 Zn II离子载体表现出选择性抗菌活性和较低的哺乳动物细胞毒性。
• Mononuclear iron(III) complexes supported by tripodal N3O ligands: Synthesis, structure and reactivity towards DNA cleavage
  作者：Yee-Lok Wong、Chun-Yin Mak、Hoi Shan Kwan、Hung Kay Lee

  DOI：10.1016/j.ica.2009.12.039

  日期：2010.4

  A new synthetic route to the known tripodal tetradentate N3O ligand L-1 (HL1 = [N-(3,5-di-tert-butyl-2-hydroxybenzyl)-N,N-di-(2-pyridylmethyl)]amine) is reported. The related compounds HLn (n = 2, 3) were prepared by a similar procedure. Treatment of HLn (n = 1-3) with FeCl3 center dot 6H(2)O in hot methanol led to the mononuclear iron(III) complexes [Fe(Ln)Cl-2] (1: n = 1, 2: n = 2, 3: n = 3). The solid-state structures of complexes 1 and 2 were determined by X-ray crystallography. [Fe(L-1)Cl-2] (1) showed effective nuclease activity in the presence of hydrogen peroxide, converting supercoiled plasmid DNA to its linear form. (C) 2009 Elsevier B.V. All rights reserved.