2-((2-(ethylamino)ethylimino)methyl)-6-methoxyphenol | 887650-18-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-((2-(ethylamino)ethylimino)methyl)-6-methoxyphenol
• 英文别名: 2-[(2-Ethylaminoethylimino)methyl]-6-methoxyphenol；2-[2-(ethylamino)ethyliminomethyl]-6-methoxyphenol
• CAS: 887650-18-2
• 化学式: C₁₂H₁₈N₂O₂
• 分子量: 222.287
• InChiKey: OPYMNGXNACKRQW-UHFFFAOYSA-N

物化性质

• 沸点：
  350.2±42.0 °C(Predicted)
• 密度：
  1.06±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  53.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  cadmium(II) nitrate tetrhydrate 、 2-((2-(ethylamino)ethylimino)methyl)-6-methoxyphenol 、 sodium thiocyanide 在 Schiff base 作用下， 以 甲醇 为溶剂， 反应 1.0h， 以63%的产率得到[Cd₂(2-(2-(ethylamino)ethyliminomethyl)-6-methoxyphenolate)₂(SCN)(NO₃)]
  参考文献：
  名称：

  Mono, di and trinuclear photo-luminescent cadmium(II) complexes with N2O and N2O2 donor salicylidimine Schiff bases: Synthesis, structure and self assembly

  摘要：

  Four new octahedral cadmium(II) complexes, [(Cd)(L-1)(HL1)](ClO4) (1), [Cd-2(L-2)(2)(SCN)(2)(CH3OH)(2)] (2), [(CdL3)(3)(mu-1,1,1-OH)](ClO4)(2) (3) and [Cd-2(L-4)(2)(SCN)(NO3)] (4) have been synthesized using four Schiff bases, HL1, HL2, HL3 and HL4, (where HL1 = 2-(2-(ethylamino)ethyliminomethyl)phenol, HL2 = 2-(2(dimethylamino)ethyliminomethyl)-4-bromophenol, HL3 = 2-(2-(diethylamino) ethyliminomethyl)-6-methoxyphenol and HL4 = 2-(2-(ethylamino) ethyliminomethyl)-6-methoxyphenol). All four complexes have been characterized by elemental and spectral analysis and structures have been confirmed by single crystal X-ray diffraction studies. Complex 1 is a mononuclear cationic bis-ligand complex. Complex 2 features a double end-to-end thiocyanate bridged dinuclear cadmium(II) complex. Complex 3 has a partial cubane [Cd3O4] core in which three [CdL3] subunits are interconnected through two types of oxygen bridges afforded by phenoxo oxygen atoms of ligands and a central hydroxo group. Complex 4 has a double phenoxo bridged dinuclear structure. Supramolecular interactions in all four complexes were also explored. All four complexes show fluorescence. (C) 2015 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2015.04.018
• 作为产物：
  描述：

  N-乙基乙二胺 、 邻香草醛 以 甲醇 为溶剂， 反应 1.0h， 生成 2-((2-(ethylamino)ethylimino)methyl)-6-methoxyphenol
  参考文献：
  名称：

  Novel tandem synthesis of bis(μ-NN′-tetrazolate) bridged dinuclear nickel(ii) Schiff base complex via [3 + 2] cyclo-addition at ambient condition

  摘要：

  通过2-氰基吡嗪和氮杂叠氮钠进行[3+2]环加成反应合成了一种双核镍（II）席夫碱配合物，其桥联部分为双(μ-NN'四唑)。

  DOI：

  10.1039/c3dt52398e

文献信息

• Dinuclear cadmium(II) complexes with distorted octahedral/monocapped trigonal prism coordination geometries: synthesis, crystal structure, DFT/TD-DFT calculation and photocatalytic degradation of methylene blue
  作者：Dama Saren、Michael Bodensteiner、Subal Chandra Manna

  DOI：10.1016/j.poly.2024.116936

  日期：2024.5

  results 1D and 2D supramolecular structures, respectively. Experimentally determined electronic spectral data have been compared with the calculated data obtained by DFT and TD-DFT calculation. Photocatalytic abilities of 1 and 2 have been examined by using spectroscopic technique and found that in presence of UV light both the complexes catalytically decomposed methylene blue by 54.0 % and 50.3 %, respectively

  两个 Cd(II) 配合物 [Cd(L)(dca)(NO)] () 和 [Cd(L)(SCN)(NO)] () (HL = 2-甲氧基-6-[(2-苯氨基-已合成并通过单晶结构分析、红外和质谱研究对其进行了表征。配合物 和 均具有空间群的三斜晶系​​。在 复合物 中，一个金属中心周围的几何形状是扭曲的八面体，而另一个中心是扭曲的单顶三棱柱，而在 复合物 中，两个金属中心都具有扭曲的八面体几何形状。强 NH⋅⋅⋅O 和弱芳香族 CH⋅⋅∙O 氢键相互作用，以及强 NH⋅⋅⋅O 和 NH⋅⋅⋅S 氢键作用，结果分别为 1D 和 2D 超分子结构。将实验确定的电子光谱数据与DFT和TD-DFT计算得到的计算数据进行了比较。通过光谱技术检测了1和2的光催化能力，发现在紫外光存在下，这两种配合物分别催化分解了54.0%和50.3%的亚甲基蓝。
• Fe(III) salEen derived Schiff base complexes as potential contrast agents
  作者：Bernardo de P. Cardoso、Ana I. Vicente、Joseph B.J. Ward、Pedro J. Sebastião、Fabián Vaca Chávez、Sónia Barroso、Alexandra Carvalho、Stephen J. Keely、Paulo N. Martinho、Maria José Calhorda

  DOI：10.1016/j.ica.2015.04.026

  日期：2015.6

  Three iron(III) complexes with ligands derived from N-ethyl-N-(2-aminoethyl) salicylaldiminate (H, 1; 5-Br, 2; 3-OMe, 3 substituents at the phenyl group) were prepared and the X-ray crystal structures of 1 and 2 are reported. NMR studies of solutions of these complexes in DMSO allowed for investigation of their magnetic behaviour and paramagnetic relaxation contribution. The relaxivities measured ranged from 0.35 to 0.80 mM(-1) s(-1) for proton Larmor frequencies from 0.01 to 300 MHz, in agreement with those known for other iron(III) based contrast agents. Biological studies on colonic epithelial T-84 cell monolayers showed that the compounds exert toxic effects only at concentrations higher than 100 mu M while coincidently reducing colonic epithelial secretory function. These two features make these complexes good candidates for further development in order to be used as MRI contrast agents. (C) 2015 Elsevier B.V. All rights reserved.