2-(bis<2-(2-pyridyl)ethyl>aminomethyl)-4-nitrophenol | 167415-74-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-(bis<2-(2-pyridyl)ethyl>aminomethyl)-4-nitrophenol
• CAS: 167415-74-9
• 化学式: C₂₁H₂₂N₄O₃
• 分子量: 378.431
• InChiKey: GHUZNBLUKRNFFF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.38
• 重原子数：
  28.0
• 可旋转键数：
  9.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  92.39
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  copper(II) perchlorate hexahydrate 、 2-(bis<2-(2-pyridyl)ethyl>aminomethyl)-4-nitrophenol 在 triethylamine 作用下， 以 甲醇 为溶剂， 以49.2%的产率得到
  参考文献：
  名称：

  Adams, Harry; Bailey, Neil A.; Barbarin, Cecilia O. Rodriguez de, Journal of the Chemical Society, Dalton Transactions

  摘要：

  DOI：
• 作为产物：
  描述：

  bis[2-(2-pyridyl)ethyl]amine 、 2-氯甲基-4-硝基苯酚 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以72.3%的产率得到2-(bis<2-(2-pyridyl)ethyl>aminomethyl)-4-nitrophenol
  参考文献：
  名称：

  Heteroleptic tripodal complexes of copper(II): towards a synthetic model for the active site in galactose oxidase

  摘要：

  A series of copper(II) complexes derived from tripodal ligands (HL) bearing pyridyl and phenolic arms have been synthesized and characterized. The molecular structures of complexes [CuL(4)(O(2)CMe)]. H2O and [CuL(4)(SCN)]. MeCO(2)Et {HL(4) = 2-bis[2-(2-pyridyl)ethyl]aminomethyl-4-nitrophenol} were determined by X-ray diffraction; the complexes exist as neutral, mononuclear species in the solid state. The co-ordination geometry around the copper atom in each is a distorted square-based pyramid (tau = 0.08 and 0.11) where one pyridyl nitrogen occupies the axial position (Cu-N-py 2.27 and 2.20 Angstrom). Three ligand donor atoms comprising the square plane are unchanged but the fourth ligand is an exogenous donor atom from MeCO(2)(-) or SCN- respectively. Reference is made to the relationship of the structures to that found at the copper(II) centre at the active site of galactose oxidase.

  DOI：

  10.1039/dt9950002323

文献信息

• Zinc(II) complexes of tripodal ligands providing phenolate and pyridine donors: formation, structure and hydrolytic activity
  作者：Harry Adams、Neil A. Bailey、David E. Fenton、Qing-Yu He

  DOI：10.1039/dt9960002857

  日期：——

  A group of zinc(II) complexes derived from tri- and tetra-dentate proligands bearing pyridyl and phenolic arms have been prepared and characterised. Potentiometric titrations suggested that a stepwise complexation initially to the pendant OH, and then to pendant O– occurred. The crystal structures of [Zn2L32][ClO4]2(L3= 2-bis[2-(2-pyridyl)ethyl]aminomethyl}phenolate) and [Zn2L62][Zn(NCS)4]·0.5H2O

  制备并表征了一组衍生自带有吡啶基和酚基臂的三齿和四齿配体的锌（II）配合物。电位滴定建议逐步络合最初挂件OH，然后吊坠Ø -发生。[Zn 2 L 3 2 ] [ClO 4 ] 2（L 3 = 2- 双[2-（2-吡啶基）乙基]氨基甲基}酚盐）和[Zn 2 L 6 2 ] [Zn（NCS ）的晶体结构）4 ]·0.5H 2 O（L 6＝ 2- 双[2-（2-（2-吡啶基）乙基]氨基甲基} -4-硝基苯酚盐）揭示两个络合物均为固态的二聚体。最好将锌（II）周围的配位几何形状描述为扭曲的方形锥体，其中一个吡啶基氮原子，一个叔氮原子和两个酚氧基原子形成基面，并且一个吡啶基氮原子在轴向位置。锌之间的间距分别为3.284Å和3.274Å。[Zn L 7 2 ]（L 7 = 4-硝基-2-[2-（2-吡啶基）乙基]氨基甲基}酚盐的晶体结构显示对称角上带有锌原子的八面体络合物。配合物[Zn 2 L 3