pyrazine-2,5-dicarbaldehyde bis(propionyl-N-methylhydrazone) | 1187428-83-6

• 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: 1187428-83-6
• 化学式: C₁₄H₂₀N₆O₂
• 分子量: 304.352
• InChiKey: CHHRIPSILZGVOC-BEQMOXJMSA-N

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

• 作为产物：
  描述：

  1-methyl-1-propionylhydrazine 、 吡嗪-2,5-二甲醛 以 乙醇 为溶剂， 生成 pyrazine-2,5-dicarbaldehyde bis(propionyl-N-methylhydrazone)
  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