methyl (6-methyl-2-methylsulfonyl-4-pyrimidinyloxy)acetate | 616872-59-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: methyl (6-methyl-2-methylsulfonyl-4-pyrimidinyloxy)acetate
• CAS: 616872-59-4
• 化学式: C₉H₁₂N₂O₅S
• 分子量: 260.271
• InChiKey: WPYOXCIDCUSDEP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.26
• 重原子数：
  17.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  95.45
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  methyl (6-methyl-2-methylsulfonyl-4-pyrimidinyloxy)acetate 在 一水合肼 作用下， 以 乙醇 、 二甲基亚砜 、 异丙醇 为溶剂， 反应 13.5h， 生成 5-(2-Benzylamino-6-methyl-pyrimidin-4-yloxymethyl)-3H-[1,3,4]oxadiazole-2-thione
  参考文献：
  名称：

  Synthesis and anti-inflammatory activity of 5-(6-methyl-2-substituted 4-pyrimidinyloxymethyl)-1,3,4-oxadiazole-2-thiones and their 3-morpholinomethyl derivatives

  摘要：

  The synthesis of 5-(6-methyl-2-substituted 4-pyrimidinyloxymethyl)-2,3-dihydro-1,3,4-oxadiazole-2-thiones and their 3-morpholinomethyl derivatives and the results of anti-inflammatory activity in vivo are described. Most of the tested compounds exhibited anti-inflammatory activity and some of them were more active than acetylsalicylic acid.

  DOI：

  10.1016/s0014-827x(02)00022-8
• 作为产物：
  描述：

  (6-methyl-2-methylsulfanyl-pyrimidin-4-yloxy)-acetic acid methyl ester 在 水 、 氯 作用下， 以 甲醇 为溶剂， 以87%的产率得到methyl (6-methyl-2-methylsulfonyl-4-pyrimidinyloxy)acetate
  参考文献：
  名称：

  Synthesis and anti-inflammatory activity of 5-(6-methyl-2-substituted 4-pyrimidinyloxymethyl)-1,3,4-oxadiazole-2-thiones and their 3-morpholinomethyl derivatives

  摘要：

  The synthesis of 5-(6-methyl-2-substituted 4-pyrimidinyloxymethyl)-2,3-dihydro-1,3,4-oxadiazole-2-thiones and their 3-morpholinomethyl derivatives and the results of anti-inflammatory activity in vivo are described. Most of the tested compounds exhibited anti-inflammatory activity and some of them were more active than acetylsalicylic acid.

  DOI：

  10.1016/s0014-827x(02)00022-8