2,6-diacetylpyridine aminoguanidone | 81913-31-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2,6-diacetylpyridine aminoguanidone
• 英文别名: 2,2'-(2,6-pyridinediyldiethylidyne) bis(hydrazinecarboximidamide)；2-[1-[6-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]pyridin-2-yl]ethylideneamino]guanidine
• CAS: 81913-31-7
• 化学式: C₁₁H₁₇N₉
• 分子量: 275.316
• InChiKey: WUMBAJNOZBGXMF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  166
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  水 、 2,6-diacetylpyridine aminoguanidone 、 copper dichloride 以 盐酸 、 乙醇 为溶剂， 生成 2,6-diacetylpyridinium aminoguanidonium tetrachlorocuprate chloride hydrate
  参考文献：
  名称：

  Tetrachlorocuprate(II) salts of heterocyclic aminoguanidonium (guanylhydrazonium) ions

  摘要：

  Condensation of aminoguanidine with 2-formylpyridine, 2-benzoylpyridine and 2,6-diacetylpyridine results in the aminoguanidones, HFogu, HBzgu and H(2)2,6Acgu(2), respectively. Reaction of the heterocyclic aminoguanidone in a mixture of hydrochloric acid-ethanol with copper(II) chloride produces the following mixed salts: [H(3)Fogu][CuCl4], (1), [H(3)Bzgu](2) [CuCl4]Cl-2.H2O, (2), and [H(5)2,6Acgu(2)][CuCl4]Cl.H2O, (3). Their crystal structures, as well as their ESR and UV spectra, have been obtained. The influence on the geometry of the [CuCl4](2-) of the N-H...Cl-Cu hydrogen bonds, in the context of charged compensation hypothesis, has been evaluated. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(01)01006-3

文献信息

• Tetrachlorocuprate(II) salts of heterocyclic aminoguanidonium (guanylhydrazonium) ions
  作者：Jesús Valdés-Martı́nez、James H Alstrum-Acevedo、Rubén A Toscano、Simón Hernández-Ortega、Georgina Espinosa-Pérez、Douglas X West、Brian Helfrich

  DOI：10.1016/s0277-5387(01)01006-3

  日期：2002.3

  Condensation of aminoguanidine with 2-formylpyridine, 2-benzoylpyridine and 2,6-diacetylpyridine results in the aminoguanidones, HFogu, HBzgu and H(2)2,6Acgu(2), respectively. Reaction of the heterocyclic aminoguanidone in a mixture of hydrochloric acid-ethanol with copper(II) chloride produces the following mixed salts: [H(3)Fogu][CuCl4], (1), [H(3)Bzgu](2) [CuCl4]Cl-2.H2O, (2), and [H(5)2,6Acgu(2)][CuCl4]Cl.H2O, (3). Their crystal structures, as well as their ESR and UV spectra, have been obtained. The influence on the geometry of the [CuCl4](2-) of the N-H...Cl-Cu hydrogen bonds, in the context of charged compensation hypothesis, has been evaluated. (C) 2002 Elsevier Science Ltd. All rights reserved.