(6-Methyl-2-morpholin-4-yl-pyrimidin-4-yloxy)-acetic acid methyl ester | 616872-64-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (6-Methyl-2-morpholin-4-yl-pyrimidin-4-yloxy)-acetic acid methyl ester
• 英文别名: Methyl 2-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxyacetate；methyl 2-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxyacetate
• CAS: 616872-64-1
• 化学式: C₁₂H₁₇N₃O₄
• 分子量: 267.285
• InChiKey: KXLKAXIPTOCPIQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 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：
  73.8
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (6-Methyl-2-morpholin-4-yl-pyrimidin-4-yloxy)-acetic acid methyl ester 在 一水合肼 作用下， 以 乙醇 、 异丙醇 为溶剂， 反应 13.0h， 生成 5-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxymethyl]-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 、 二甲基亚砜 为溶剂， 反应 0.5h， 生成 (6-Methyl-2-morpholin-4-yl-pyrimidin-4-yloxy)-acetic acid methyl ester
  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

文献信息

• A convenient and versatile S_NAr-decarboxylation protocol for the construction of C(sp²)–C(sp³) bonds
  作者：Alexander Burtea、Jacob DeForest、Neil Baldwin、Carolyn Leverett、Gary M. Gallego

  DOI：10.1039/d2cc01551j

  日期：——

  Increasing saturation (Fsp3) remains a central strategy in the optimization of properties of molecules during drug discovery. Here, we describe a versatile and operationally simple one-pot procedure for accomplishing this goal via a nucleophilic aromatic substitution-decarboxylation sequence to construct C(sp2)–C(sp3) bonds. The method is tolerant of a variety of biologically privileged moieties and

  在药物发现过程中，增加饱和度 (Fsp 3 ) 仍然是优化分子特性的核心策略。在这里，我们描述了一种通用且操作简单的一锅法，通过亲核芳族取代-脱羧序列构建 C(sp 2 )–C(sp 3 ) 键来实现这一目标。该方法耐受多种生物学特权部分，并已在文库格式中得到证明。
• Synthesis and anti-inflammatory activity of 5-(6-methyl-2-substituted 4-pyrimidinyloxymethyl)-1,3,4-oxadiazole-2-thiones and their 3-morpholinomethyl derivatives
  作者：Virginija Jakubkien≐、Milda Malvina Burbulien≐、Giedrut≐ Mekuškien≐、Emilija Udr≐nait≐、Povilas Gaidelis、Povilas Vainilavičius

  DOI：10.1016/s0014-827x(02)00022-8

  日期：2003.4

  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.