4-acetylpyridine N(4)-methylthiosemicarbazone

• 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: 4-acetylpyridine N(4)-methylthiosemicarbazone
• 英文别名: Methyl 4-pyridyl ketone 4-methyl-3-thiosemicarbazone；1-methyl-3-[(E)-1-pyridin-4-ylethylideneamino]thiourea
• 化学式: C₉H₁₂N₄S
• 分子量: 208.287
• InChiKey: WLOMPZXHELTQJM-KPKJPENVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  81.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  溴乙酸 、 4-acetylpyridine N(4)-methylthiosemicarbazone 在 sodium acetate 作用下， 以 乙醇 为溶剂， 以49 %的产率得到(Z)-3-methyl-2-((E)-(1-(pyridin-4-yl)ethylidene)hydrazono)thiazolidin-4-one
  参考文献：
  名称：

  Structural design, synthesis, and anti-Trypanosomatidae profile of new Pyridyl-thiazolidinones

  摘要：

  DOI：

  10.1016/j.ejmech.2023.115310
• 作为产物：
  描述：

  4-乙酰吡啶 、 4-甲基氨基硫脲 以 乙醇 为溶剂， 生成 4-acetylpyridine N(4)-methylthiosemicarbazone
  参考文献：
  名称：

  Crystal structures and IR, NMR and UV spectra of 4-formyl- and 4-acetylpyridine N (4)-methyl- and N (4)-ethylthiosemicarbazones

  摘要：

  4-Formyl- and I-acetylpyridine N(4)-methyl- and N(4)-ethylthiosemicarbazone have been prepared, their structures solved and IR, NMR and UV spectra recorded. Intramolecular and intermolecular hydrogen bonding are both present, but the mode of the intermolecular interaction differs in the four compounds. Further, there is a significant difference in their angles between the mean planes of the pyridine ring and thiosemicarbazone moiety. The H-1 NMR spectral studies show significant differences between the compounds as do UV and IR spectra. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-2860(00)00690-6

文献信息

• Crystal structures and IR, NMR and UV spectra of 4-formyl- and 4-acetylpyridine N (4)-methyl- and N (4)-ethylthiosemicarbazones
  作者：H. Beraldo、R. Lima、L.R. Teixeira、A.A. Moura、D.X. West

  DOI：10.1016/s0022-2860(00)00690-6

  日期：2001.1

  4-Formyl- and I-acetylpyridine N(4)-methyl- and N(4)-ethylthiosemicarbazone have been prepared, their structures solved and IR, NMR and UV spectra recorded. Intramolecular and intermolecular hydrogen bonding are both present, but the mode of the intermolecular interaction differs in the four compounds. Further, there is a significant difference in their angles between the mean planes of the pyridine ring and thiosemicarbazone moiety. The H-1 NMR spectral studies show significant differences between the compounds as do UV and IR spectra. (C) 2001 Elsevier Science B.V. All rights reserved.
• Structural design, synthesis, and anti-Trypanosomatidae profile of new Pyridyl-thiazolidinones
  作者：Juliana Maria da Conceição、Aline Caroline da Silva Santos、Fabio André Brayner、Luiz Carlos Alves、Aline Ferreira Pinto、Graziella Leite Brondani、Gevânio Bezerra de Oliveira Filho、Danilo Cesar Galindo Bedor、José Wellithom Viturino da Silva、Policarpo Ademar Sales Junior、Marton Kaique de Andrade Cavalcante、Elis Dionísio da Silva、Valéria Rêgo Alves Pereira、Ana Cristina Lima Leite

  DOI：10.1016/j.ejmech.2023.115310

  日期：2023.6

表征谱图