dimethyl 5-ethyl-1-phenylpyrazole-3,4-dicarboxylate | 918407-74-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: dimethyl 5-ethyl-1-phenylpyrazole-3,4-dicarboxylate
• 英文别名: Dimethyl 5-ethyl-1-phenyl-1H-pyrazole-3,4-dicarboxylate
• CAS: 918407-74-6
• 化学式: C₁₅H₁₆N₂O₄
• 分子量: 288.303
• InChiKey: MKWGDPUNVXOTOU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  70.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4,5-diethyl-1-phenyl-1H-1,2,3-triazole 、 丁炔二酸二甲酯 在 三氯化铝 、 silica gel 作用下， 反应 0.33h， 以89%的产率得到dimethyl 5-ethyl-1-phenylpyrazole-3,4-dicarboxylate
  参考文献：
  名称：

  Recyclable supported catalysts in microwave-assisted reactions: first Diels–Alder cycloaddition of a triazole ring

  摘要：

  We describe here the first example in which a 1,2,3-triazole ring acts as a diene towards DMAD in microwave-assisted solvent-free Diels-Alder cycloadditions. The extrusion of a molecule of a nitrile affords pyrazole derivatives as the products. The yields can be markedly increased by using a recyclable supported Lewis acid catalyst, which can be reused at least five times without a decrease in the yield. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.10.006

文献信息

• Recyclable supported catalysts in microwave-assisted reactions: first Diels–Alder cycloaddition of a triazole ring
  作者：Ángel Díaz-Ortiz、Abel de Cózar、Pilar Prieto、Antonio de la Hoz、Andrés Moreno

  DOI：10.1016/j.tetlet.2006.10.006

  日期：2006.12

  We describe here the first example in which a 1,2,3-triazole ring acts as a diene towards DMAD in microwave-assisted solvent-free Diels-Alder cycloadditions. The extrusion of a molecule of a nitrile affords pyrazole derivatives as the products. The yields can be markedly increased by using a recyclable supported Lewis acid catalyst, which can be reused at least five times without a decrease in the yield. (c) 2006 Elsevier Ltd. All rights reserved.