[(E)-[(1-methyl-1H-imidazol-2-yl)methylidene]amino]ethylamine | 1332326-76-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: [(E)-[(1-methyl-1H-imidazol-2-yl)methylidene]amino]ethylamine
• CAS: 1332326-76-7
• 化学式: C₁₂H₁₆N₆
• 分子量: 244.299
• InChiKey: IXRCAHGRGPDOGA-UTLPMFLDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.69
• 重原子数：
  18.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  60.36
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  [(E)-[(1-methyl-1H-imidazol-2-yl)methylidene]amino]ethylamine 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 以67%的产率得到(l)-N,N'-di[(N-methylimidazol-2-yl)-methyl]ethylenediamine
  参考文献：
  名称：

  A new N6 hexadentate ligand and a novel heptacoordinated N6O-type Fe(III) compounds: Synthesis, characterization and structure of [Fe(dimpyen)(OH)](A)2 (A=PF6− or ClO4−)

  摘要：

  In this contribution, we report the syntheses of a novel N-6 donor set ligand, dimpyen = N1,N2-di[(1-methyl-1H-2-imidazolyl) methyl]-N1, N2-di(2-pyridilmethyl)-1,2-ethanediamine. This type of ligand was designed to modulate the properties of the metal ions bound to it. The reaction with Fe(II) gives off a new heptacoordinated iron(III) complex. We study the spectroscopic (UV-Vis), magnetic and electrochemical behavior and also made the structural determination with X-ray diffraction at 134 K and a heptacoordinated N6O-type derivative of Fe(III) is reported as well. This complex crystallize as perchlorate or hexafluorophosphate and the formula of these derivatives are [Fe(dimpyen)(OH)](PF6)(2) (1) and [Fe(dimpyen)(OH)](ClO4)(2) (2) which both crystallize with an intermediate geometry, between pentagonal bipyramidal and monocapped octahedral. The UV-Vis spectra in CH3CN solution show a shoulder at 306 nm assigned to one ligand-metal charge-transfer (LMCT) transition, in addition, a weaker and wide band assigned to the charge transfer HO-Fe transition (lambda(max) at 404 nm with an extinction coefficient of 818 cm (1) M (1)) is also observed. The magnetic studies corroborate a high-spin iron (III) species in all the temperature range considered. Measurements of cyclic voltammetric confirm a reversible system Fe(III) species, with E-1/2 = -0.380 V/Fc(+)-Fc, this low potential value explains the high stability of the Fe(III) and the easy oxidation of Fe(II) by atmospheric O-2(g) reaction. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.05.008
• 作为产物：
  描述：

  乙二胺 、 1-甲基-1H-咪唑-2-甲醛 在 magnesium sulfate 作用下， 以 二氯甲烷 为溶剂， 以72.7%的产率得到[(E)-[(1-methyl-1H-imidazol-2-yl)methylidene]amino]ethylamine
  参考文献：
  名称：

  A new N6 hexadentate ligand and a novel heptacoordinated N6O-type Fe(III) compounds: Synthesis, characterization and structure of [Fe(dimpyen)(OH)](A)2 (A=PF6− or ClO4−)

  摘要：

  In this contribution, we report the syntheses of a novel N-6 donor set ligand, dimpyen = N1,N2-di[(1-methyl-1H-2-imidazolyl) methyl]-N1, N2-di(2-pyridilmethyl)-1,2-ethanediamine. This type of ligand was designed to modulate the properties of the metal ions bound to it. The reaction with Fe(II) gives off a new heptacoordinated iron(III) complex. We study the spectroscopic (UV-Vis), magnetic and electrochemical behavior and also made the structural determination with X-ray diffraction at 134 K and a heptacoordinated N6O-type derivative of Fe(III) is reported as well. This complex crystallize as perchlorate or hexafluorophosphate and the formula of these derivatives are [Fe(dimpyen)(OH)](PF6)(2) (1) and [Fe(dimpyen)(OH)](ClO4)(2) (2) which both crystallize with an intermediate geometry, between pentagonal bipyramidal and monocapped octahedral. The UV-Vis spectra in CH3CN solution show a shoulder at 306 nm assigned to one ligand-metal charge-transfer (LMCT) transition, in addition, a weaker and wide band assigned to the charge transfer HO-Fe transition (lambda(max) at 404 nm with an extinction coefficient of 818 cm (1) M (1)) is also observed. The magnetic studies corroborate a high-spin iron (III) species in all the temperature range considered. Measurements of cyclic voltammetric confirm a reversible system Fe(III) species, with E-1/2 = -0.380 V/Fc(+)-Fc, this low potential value explains the high stability of the Fe(III) and the easy oxidation of Fe(II) by atmospheric O-2(g) reaction. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.05.008

文献信息

• POLYMERS FUNCTIONALIZED WITH POLYIMINE COMPOUNDS
  申请人：LUO STEVEN

  公开号：US20090171035A1

  公开（公告）日：2009-07-02

  A method for preparing a functionalized polymer, the method comprising the steps of (i) polymerizing conjugated diene monomer by employing a lanthanide-based catalyst to form a reactive polymer, and (ii) reacting the reactive polymer with a polyimine compound.
• US8268933B2
  申请人：——

  公开号：US8268933B2

  公开（公告）日：2012-09-18