Methyl 2-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)sulfanylacetate | 347343-81-1

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: Methyl 2-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)sulfanylacetate
• CAS: 347343-81-1
• 化学式: C₁₂H₁₇N₃O₃S
• 分子量: 283.351
• InChiKey: YSBYDNLFQHKEQV-UHFFFAOYSA-N

物化性质

• 熔点：
  105-106 °C(Solv: hexane (110-54-3))
• 沸点：
  454.3±55.0 °C(Predicted)
• 密度：
  1.30±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  89.8
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  Methyl 2-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)sulfanylacetate 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 9.0h， 生成 5-(6-Methyl-2-morpholin-4-yl-pyrimidin-4-ylsulfanylmethyl)-3H-[1,3,4]oxadiazole-2-thione
  参考文献：
  名称：

  Synthesis and anti-inflammatory activity of derivatives of 5-[(2-disubstitutedamino-6-methyl-pyrimidin-4-yl)-sulfanylmethyl]-3H-1,3,4-oxadiazole-2-thiones

  摘要：

  Synthesis and results of anti-inflammatory activity in vivo of 5-[(2-disubstitutedamino-6-methyl-pyrimidin-4-yl)-sulfanylmethyl]-3H-1,3,4-oxadiazole-2-thiones and their S-alkyl-, N(3)-acyl- and N(3)-aminomethyl derivatives are described. All the tested compounds possess anti-inflammatory activity comparable to that of acetylsalicylic acid and some derivatives of 5-[(6-methyl-2-piperidin-1-yl-pyrimidin-4-yl)-sulfanylmethyl]-3H-1,3,4-oxadiazole-2-thione were found to be much more active than ibuprofen.

  DOI：

  10.1016/j.farmac.2004.05.007
• 作为产物：
  描述：

  吗啉 、 methyl (2-chloro-6-methyl-pyrimidin-4-yl)-sulfanylacetate 在 sodium carbonate 作用下， 以 甲醇 为溶剂， 反应 2.0h， 以75%的产率得到Methyl 2-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)sulfanylacetate
  参考文献：
  名称：

  Synthesis and anti-inflammatory activity of derivatives of 5-[(2-disubstitutedamino-6-methyl-pyrimidin-4-yl)-sulfanylmethyl]-3H-1,3,4-oxadiazole-2-thiones

  摘要：

  Synthesis and results of anti-inflammatory activity in vivo of 5-[(2-disubstitutedamino-6-methyl-pyrimidin-4-yl)-sulfanylmethyl]-3H-1,3,4-oxadiazole-2-thiones and their S-alkyl-, N(3)-acyl- and N(3)-aminomethyl derivatives are described. All the tested compounds possess anti-inflammatory activity comparable to that of acetylsalicylic acid and some derivatives of 5-[(6-methyl-2-piperidin-1-yl-pyrimidin-4-yl)-sulfanylmethyl]-3H-1,3,4-oxadiazole-2-thione were found to be much more active than ibuprofen.

  DOI：

  10.1016/j.farmac.2004.05.007

文献信息

• Convenient way to 5-substituted 4-amino-2,3-dihydro-4<i>H</i>-1,2,4-triazole-3-thiones
  作者：Romualdas Smičius、Milda Malvina Burbuliene、Virginija Jakubkienė、Emilija Udrwėnaitė、Povilas Vainilavičius

  DOI：10.1002/jhet.5570440201

  日期：2007.3

  Various 4-amino-2,3-dihydro-4H-triazoles with aromatic, aliphatic and heterocyclic substituents at the C(5) position were synthesized from corresponding esters and thiocarbohydrazide. This method allows the synthesis these heterocycles in a short time and at reduced expenses.

  从相应的酯和硫代碳酰肼合成了各种在C（5）位置具有芳香，脂族和杂环取代基的4-氨基-2,3-二氢-4 H-三唑。该方法允许在短时间内以减少的费用合成这些杂环。