(2-dimethylamino-6-methyl-4-pyrimidinylsulfanyl)acethydrazide | 202746-28-9

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: (2-dimethylamino-6-methyl-4-pyrimidinylsulfanyl)acethydrazide
• 英文别名: 2-(2-dimethylamino-6-methylpyrimidin-4-ylthio)acetohydrazide；2-[2-(Dimethylamino)-6-methylpyrimidin-4-yl]sulfanylacetohydrazide
• CAS: 202746-28-9
• 化学式: C₉H₁₅N₅OS
• 分子量: 241.317
• InChiKey: UCRALTGPGIKNFC-UHFFFAOYSA-N

物化性质

• 密度：
  1.29±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (2-dimethylamino-6-methyl-4-pyrimidinylsulfanyl)acethydrazide 在 硫酸 作用下， 以 乙醇 为溶剂， 反应 4.0h， 生成 5-[(2-dimethylamino-6-methylpyrimidin-4-ylthio)methyl]-2-phenylamino-1,3,4-thiadiazole
  参考文献：
  名称：

  Synthesis of new pyrimidinylthio-substituted 1,3,4-oxa(thia)diazoles and 1,2,4-triazoles

  摘要：

  Novel 1,3,4-oxadiazoles, 1,3,4-thiadiazoles and 1,2,4-triazole-3-thiones bearing the pyrimidinylthio-moiety were synthesized by cyclization of a substituted-thiosemicarbazide precursor under different conditions. The thiosemicarbazide intermediates were easily accessed from reaction of biologically active 2-(4,6-dimethylpyrimidin-2-ylthio)acetohydrazide and 2-(2-dimethylamino-6-methyl pyrimidin-4-ylthio) acetohydrazide with cyclohexyl or phenyl isothiocyanate. The compounds are characterized by H-1, C-13 NMR, IR spectroscopy and analytical data.[GRAPHICS].

  DOI：

  10.1080/17415993.2012.692790
• 作为产物：
  描述：

  2,4-二氯-6-甲基嘧啶 在 sodium methylate 、 sodium carbonate 、 一水合肼 作用下， 以 甲醇 、 乙醇 为溶剂， 反应 2.0h， 生成 (2-dimethylamino-6-methyl-4-pyrimidinylsulfanyl)acethydrazide
  参考文献：
  名称：

  Burbuliene; Udrenaite; Gaidelis, Polish Journal of Chemistry, 2002, vol. 76, # 4, p. 557 - 563

  摘要：

  DOI：

文献信息

• Burbuliene; Udrenaite; Gaidelis, Polish Journal of Chemistry, 2002, vol. 76, # 4, p. 557 - 563
  作者：Burbuliene、Udrenaite、Gaidelis、Vainilavicius

  DOI：——

  日期：——
• Synthesis of new pyrimidinylthio-substituted 1,3,4-oxa(thia)diazoles and 1,2,4-triazoles
  作者：Milda M. Burbuliene、Aliona Simkus、Povilas Vainilavicius

  DOI：10.1080/17415993.2012.692790

  日期：2012.8

  Novel 1,3,4-oxadiazoles, 1,3,4-thiadiazoles and 1,2,4-triazole-3-thiones bearing the pyrimidinylthio-moiety were synthesized by cyclization of a substituted-thiosemicarbazide precursor under different conditions. The thiosemicarbazide intermediates were easily accessed from reaction of biologically active 2-(4,6-dimethylpyrimidin-2-ylthio)acetohydrazide and 2-(2-dimethylamino-6-methyl pyrimidin-4-ylthio) acetohydrazide with cyclohexyl or phenyl isothiocyanate. The compounds are characterized by H-1, C-13 NMR, IR spectroscopy and analytical data.[GRAPHICS].