N,N'-bis[(2-methylseleno)-phenylmethylene]-1,2-ethanediamine

• 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: N,N'-bis[(2-methylseleno)-phenylmethylene]-1,2-ethanediamine
• 英文别名: N,N'-bis((2-methylseleno)phenylmethylene)-1,2-ethanediamine；1-(2-methylselanylphenyl)-N-[2-[(2-methylselanylphenyl)methylideneamino]ethyl]methanimine
• 化学式: C₁₈H₂₀N₂Se₂
• 分子量: 422.29
• InChiKey: DLKHYHWHQQWFKN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.98
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  24.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  tetrakis(acetonitrile)copper(I) perchlorate 、 N,N'-bis[(2-methylseleno)-phenylmethylene]-1,2-ethanediamine 以 甲醇 为溶剂， 反应 3.0h， 以76%的产率得到
  参考文献：
  名称：

  Cu(I) complexes of bis(methyl)(thia/selena) salen ligands: Synthesis, characterization, redox behavior and DNA binding studies

  摘要：

  Mononuclear cuprous complexes 1 and 2, [{CH3E(o-C6H4)CH = NCH2}(2)Cu]ClO4; E = S/Se, have been synthesized by the reaction of bis(methyl)(thia/selena) salen ligands and [Cu(CH3CN)(4)]ClO4. Both the products were characterized by elemental analysis, ESI-MS, FT-IR, H-1/C-13/77Se NMR, and cyclic voltammetry. The complexes possess tetrahedral geometry around metal center with the N2S2/N2Se2 coordination core. Cyclic voltammograms of complexes I and 2 displayed reversible anodic waves at E-1/2 = + 0.08 V and + 0.10 V, respectively, corresponding to the Cu(I)/Cu(II) redox couple. DNA binding studies of both the complexes were performed applying absorbance, fluorescence and molecular docking techniques. Competitive binding experiment of complexes with ctDNA against ethidium bromide is performed to predict the mode of binding. The results indicate the groove binding mode of complexes 1 and 2 to DNA. The binding constants revealed the strong binding affinity of complexes towards ct-DNA. (C) 2016 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2016.07.029

文献信息

• Synthesis, characterization and coordination properties of bis(alkyl)selenosalen ligands
  作者：Snigdha Panda、G. Rama Krishna、C. Malla Reddy、Sanjio S. Zade

  DOI：10.1039/c1dt10114e

  日期：——

  selenoether-selenolate coordination complexes 7–10via cleavage of one of the two Se–C(alkyl) bonds of bis(alkyl)selenosalen podands upon complexation. DFT calculations revealed that the cleavage of Se–C(alkyl) bonds occurred possibly viaSN2 mechanism instead of a sequence of oxidative addition and reductive elimination reactions. The spectral data and elemental analyses confirmed the formation of selenoether-selenolate

  通过将不对称的邻甲酰基苯基烷基硒化物（1-3）与不对称的邻甲酰基苯基烷基硒化物缩合，合成了具有Se2N2供体位点的新的双（烷基）硒烯荚状配体。乙二胺。双（烷基）硒烯荚状配体与Pd（II）和Pt（II）的反应通过裂解双（烷基）硒烯荚状体的两个Se-C（烷基）键之一，提供了硒醚-硒酸酯配位化合物7-10。复杂化。DFT计算表明，Se-C（烷基）键的裂解可能是通过S N 2机理发生的，而不是通过氧化加成和还原消除反应的顺序进行的。光谱数据和元素分析证实了硒醚-硒酸酯络合物的形成。N，N′-双[（2-甲基硒基）苯基亚甲基] -1,2-乙二胺的豆荚结构（4），N，N'-双[（2-癸基硒代）苯基亚甲基] -1,2-乙二胺（5）和硒醚-硒酸酯络合物8已经通过单晶X射线衍射分析确定。5的晶体结构通过长烷基链的相互交叉显示出Se⋯H与类似3D超分子排列的梯子的相互作用。Podands 4和5的晶体堆积的比较