Methyl 2-(4-methylphenyl)-5-(morpholin-4-yl)-1,3-oxazole-4-carboxylate | 297142-74-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: Methyl 2-(4-methylphenyl)-5-(morpholin-4-yl)-1,3-oxazole-4-carboxylate
• 英文别名: methyl 2-(4-methylphenyl)-5-morpholin-4-yl-1,3-oxazole-4-carboxylate
• CAS: 297142-74-6
• 化学式: C₁₆H₁₈N₂O₄
• 分子量: 302.33
• InChiKey: JNHHAKMFGLCVRQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  64.8
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Methyl 2-(4-methylphenyl)-5-(morpholin-4-yl)-1,3-oxazole-4-carboxylate 在 一水合肼 、 potassium hydroxide 作用下， 以 1,4-二氧六环 、 甲醇 、 水 为溶剂， 反应 42.0h， 生成 3-[2-(4-methylphenyl)-5-morpholin-4-yl-1,3-oxazol-4-yl]-4-phenyl-1H-1,2,4-triazole-5-thione
  参考文献：
  名称：

  Synthesis of 4-hetaryl-substituted 5-amino- and 5-sulfanyl-1,3-oxazole derivatives

  摘要：

  Previously unknown 5-amino- and 5-sulfanyl-1,3-oxazole derivatives containing a 1,3,4-oxadiazole, 1,3,4-thiadiazole, or 1,2,4-triazole fragment at C-4 were synthesized from accessible 1,3-oxazole-4-carboxylic acid hydrazides.

  DOI：

  10.1134/s1070363211020204
• 作为产物：
  描述：

  吗啉 、 3,3-Dichloro-2-(4-methyl-benzoylamino)-acrylic acid methyl ester 生成 Methyl 2-(4-methylphenyl)-5-(morpholin-4-yl)-1,3-oxazole-4-carboxylate
  参考文献：
  名称：

  Reaction of 2-aryl-4-dichloromethylidene-1,3-oxazol-5(4H)-ones with 2-aminopyridine

  摘要：

  Reactions of multicenter electrophilic substrates, 2-aryl-4-dichloromethylidene-1,3-oxazol-5(4H)-ones, with 2-aminopyridine, involved cleavage of the dihydrooxazole ring by the primary amino group of nucleophilic reagent and subsequent cyclization to imidazopyridine derivatives. The latter reacted with morpholine and its analogs via recyclization with formation of 5-amino-2-aryl-N-(pyridin-2-yl)-1,3-oxazole-4-carboxamides.

  DOI：

  10.1134/s1070363210010160

文献信息

• Synthesis of 4-hetaryl-substituted 5-amino- and 5-sulfanyl-1,3-oxazole derivatives
  作者：V. M. Prokopenko、S. G. Pil’o、V. S. Brovarets

  DOI：10.1134/s1070363211020204

  日期：2011.2

  Previously unknown 5-amino- and 5-sulfanyl-1,3-oxazole derivatives containing a 1,3,4-oxadiazole, 1,3,4-thiadiazole, or 1,2,4-triazole fragment at C-4 were synthesized from accessible 1,3-oxazole-4-carboxylic acid hydrazides.
• Reaction of 2-aryl-4-dichloromethylidene-1,3-oxazol-5(4H)-ones with 2-aminopyridine
  作者：V. M. Prokopenko、S. G. Pil’o、V. S. Brovarets、A. N. Vasilenko、B. S. Drach

  DOI：10.1134/s1070363210010160

  日期：2010.1

  Reactions of multicenter electrophilic substrates, 2-aryl-4-dichloromethylidene-1,3-oxazol-5(4H)-ones, with 2-aminopyridine, involved cleavage of the dihydrooxazole ring by the primary amino group of nucleophilic reagent and subsequent cyclization to imidazopyridine derivatives. The latter reacted with morpholine and its analogs via recyclization with formation of 5-amino-2-aryl-N-(pyridin-2-yl)-1,3-oxazole-4-carboxamides.