6-methyl-2-acetylpyridine 3-hexamethyleneiminylthiosemicarbazone | 86919-57-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂环庚烷
• 英文名称: 6-methyl-2-acetylpyridine 3-hexamethyleneiminylthiosemicarbazone
• 英文别名: N-[1-(6-methylpyridin-2-yl)ethylideneamino]azepane-1-carbothioamide
• CAS: 86919-57-5
• 化学式: C₁₅H₂₂N₄S
• 分子量: 290.432
• InChiKey: GGHJVKQAVLHNOM-UHFFFAOYSA-N

物化性质

• 沸点：
  423.9±47.0 °C(Predicted)
• 密度：
  1.16±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  72.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  potassium tetrachloropalladate(II) 、 6-methyl-2-acetylpyridine 3-hexamethyleneiminylthiosemicarbazone 以 甲醇 为溶剂， 以70%的产率得到chloropalladium(1+);(NE,1Z)-N-[1-(6-methylpyridin-2-yl)ethylidene]azepane-1-carbohydrazonothioate
  参考文献：
  名称：

  Palladium(II) and platinum(II) complexes of 6-methyl-2-acetylpyridine 3-hexamethyleneiminylthiosemicarbazones: A structural and spectral study

  摘要：

  The reaction of 6-methyl-2-acetylpyridine 3-hexamethyleneiminylthiosemicarbazone, H6MAchexim, with potassium tetrachloro-palladate(II) and tetrachloroplantinate(II) in methanol afforded the complexes [Pd(6MAchexim)Cl] and [Pt(6MAchexim)Cl], respectively. The X-ray crystal structure determination of both shows that anions of H6MAchexim coordinate in a planar conformation to the central palladium(II) or platinum(II) via the pyridyl nitrogen, azomethine nitrogen and thiolato sulfur atoms. The complexes have also been characterized by spectroscopic techniques (IR, UV-VIS and H-1 NMR). (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(98)00412-4
• 作为产物：
  描述：

  2-乙酰基-6-甲基吡啶 以 乙醇 为溶剂， 反应 3.0h， 生成 6-methyl-2-acetylpyridine 3-hexamethyleneiminylthiosemicarbazone
  参考文献：
  名称：

  Klayman; Scovill; Mason, Arzneimittel-Forschung/Drug Research, 1983, vol. 33, # 7, p. 909 - 912

  摘要：

  DOI：

文献信息

• Klayman; Scovill; Mason, Arzneimittel-Forschung/Drug Research, 1983, vol. 33, # 7, p. 909 - 912
  作者：Klayman、Scovill、Mason、Bartosevich、Bruce、Lin

  DOI：——

  日期：——
• Palladium(II) and platinum(II) complexes of 6-methyl-2-acetylpyridine 3-hexamethyleneiminylthiosemicarbazones: A structural and spectral study
  作者：Karen I Goldberg、Jesús Valdes-Martı́nez、Georgina Espinosa-Pérez、Lily J Ackerman、Douglas X West

  DOI：10.1016/s0277-5387(98)00412-4

  日期：1999.3

  The reaction of 6-methyl-2-acetylpyridine 3-hexamethyleneiminylthiosemicarbazone, H6MAchexim, with potassium tetrachloro-palladate(II) and tetrachloroplantinate(II) in methanol afforded the complexes [Pd(6MAchexim)Cl] and [Pt(6MAchexim)Cl], respectively. The X-ray crystal structure determination of both shows that anions of H6MAchexim coordinate in a planar conformation to the central palladium(II) or platinum(II) via the pyridyl nitrogen, azomethine nitrogen and thiolato sulfur atoms. The complexes have also been characterized by spectroscopic techniques (IR, UV-VIS and H-1 NMR). (C) 1999 Elsevier Science Ltd. All rights reserved.