1-(4,6-dimethylpyrimidin-2-yl)-2-(2-furylmethylidene)hydrazine | 100061-52-7

• 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: 1-(4,6-dimethylpyrimidin-2-yl)-2-(2-furylmethylidene)hydrazine
• 英文别名: furfural-(4,6-dimethyl-pyrimidin-2-ylhydrazone)；Furfural-(4,6-dimethyl-pyrimidin-2-ylhydrazon)；N-(4,6-Dimethyl-pyrimidin-2-yl)-N'-furan-2-ylmethylene-hydrazine；N-[(E)-furan-2-ylmethylideneamino]-4,6-dimethylpyrimidin-2-amine
• CAS: 100061-52-7
• 化学式: C₁₁H₁₂N₄O
• mdl: MFCD00724427
• 分子量: 216.242
• InChiKey: DNCSBJWSCQSVPI-KPKJPENVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.181
• 拓扑面积：
  63.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2,3,4,5-tetrafluorobenzoyl isothiocyanate 、 1-(4,6-dimethylpyrimidin-2-yl)-2-(2-furylmethylidene)hydrazine 以 乙腈 为溶剂， 反应 1.0h， 以67%的产率得到1-(4,6-dimethylpyrimidin-2-yl)-3-(2,3,4,5-tetrafluorobenzoyl)-1-(6,7,8-trifluoro-4-oxo-4H-1,3-benzothiazin-2-yl)thiourea
  参考文献：
  名称：

  Fluorine-containing heterocycles: XVI. Reactions of tetrafluorobenzoyl isothiocyanate with hydrazines and their derivatives

  摘要：

  Fluorinated derivatives of 4H-1,3-benzothiazin-4-one, [1,2,4]triazolo[4,3-a]pyrimidine, [1,2,4]triazolo[3,4-b][1,3]benzazoles, and 1,5-dihydro-1,2,4-triazole-5-thione were synthesized by addition of hydrazines and their derivatives to tetrafluorobenzoyl isothiocyanate, followed by cyclization of intermediate thiosemicarbazides.

  DOI：

  10.1134/s1070428007010083

文献信息

• Fluorine-containing heterocycles: XVI. Reactions of tetrafluorobenzoyl isothiocyanate with hydrazines and their derivatives
  作者：E. V. Nosovoa、G. N. Lipunova、A. A. Laeva、L. P. Sidorova、V. N. Charushin

  DOI：10.1134/s1070428007010083

  日期：2007.1

  Fluorinated derivatives of 4H-1,3-benzothiazin-4-one, [1,2,4]triazolo[4,3-a]pyrimidine, [1,2,4]triazolo[3,4-b][1,3]benzazoles, and 1,5-dihydro-1,2,4-triazole-5-thione were synthesized by addition of hydrazines and their derivatives to tetrafluorobenzoyl isothiocyanate, followed by cyclization of intermediate thiosemicarbazides.