pyrazine-2,5-dicarbaldehyde-bis(propionyl-N-methylhydrazone) | 1130163-51-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: pyrazine-2,5-dicarbaldehyde-bis(propionyl-N-methylhydrazone)
• CAS: 1130163-51-7
• 化学式: C₁₄H₂₀N₆O₂
• 分子量: 304.352
• InChiKey: CHHRIPSILZGVOC-UHFFFAOYSA-N

物化性质

• 熔点：
  228-229 °C
• 沸点：
  445.8±55.0 °C(predicted)
• 密度：
  1.16±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.88
• 重原子数：
  22.0
• 可旋转键数：
  6.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  91.12
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  α,α,α-三联吡啶 、 pyrazine-2,5-dicarbaldehyde-bis(propionyl-N-methylhydrazone) 、 copper(II) bis(trifluoromethanesulfonate) 生成 [Cu2(pyrazine-2,5-dicarbaldehyde-bis(propionyl-N-methylhydrazone)(2,2':6',2''-terpyridine)2(CF3SO3)4
  参考文献：
  名称：

  CH…O hydrogen bond in the crystal structure of a pyrazine-based ligand and determination of the amplitude of the ligand conformational change induced by Cu(II) coordination

  摘要：

  The crystallographic structural features of the ditopic ligand pyrazine-2,5-dicarbaldehyde-bis(propionyl-N-methylhydrazone) 1, as well as their comparison with related ligands are herein reported. CH center dot center dot center dot O short contacts (2.46 and 2.55 angstrom) supporting network formation were observed.The amplitude of the conformational switch induced by the formation of the dinuclear rack-like complex [Cu(2)1(terpy)(2)](CF3SO3)(4) of ligand 1 (synthesized by reaction of 2,5-pyrazine-dicarboxaldehyde with two equivalents of N-methyl-propionohydrazide), has been determined on the basis of the X-ray structures and it was found to be of 3 angstrom.Moreover, the correlation between the structural data and the data obtained by 2D NMR spectroscopy, is confirmed by the mean of the structural analysis herein discussed that concerns the protons involved in the NOE effects observed by NOESY spectroscopy. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2009.05.021

文献信息

• Copper(II) Dinuclear Pyrazine-Based Rack-Type Complexes: Preparation, Structure, and Magnetic Properties
  作者：Juan Ramírez、Adrian-Mihail Stadler、Guillaume Rogez、Marc Drillon、Jean-Marie Lehn

  DOI：10.1021/ic801675d

  日期：2009.3.16

  and 2D NMR and by X-ray crystallography. They gave heteroleptic Cu(II) dinuclear rack-like complexes of the formula [Cu21(terpy)2](OTf)4, thus undergoing shape changes of significant amplitude. The solid-state structures of these complexes were determined by X-ray crystallography. The magnetic measurements performed on the complexes revealed the presence of antiferromagnetic intramolecular interactions

  一类新的双中心配位体，1，由2,5-吡嗪二甲醛与2当量酰基/芳酰基肼的反应来合成。它们的结构通过1D和2D NMR以及X射线晶体学证实。他们得到了具有化学式[Cu 2 1（terpy）2 ]（OTf）4的Cu（II）双核齿状复合物，因此形状发生了明显的变化。这些配合物的固态结构通过X射线晶体学测定。对复合物进行的磁性测量揭示了反铁磁性分子内相互作用的存在。