ethyl 5-[2-(tert-butoxy)-2-oxoethyl]-1-(4-methoxyphenyl)-1Hpyrazole-3-carboxylate | 1421357-51-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: ethyl 5-[2-(tert-butoxy)-2-oxoethyl]-1-(4-methoxyphenyl)-1Hpyrazole-3-carboxylate
• 英文别名: Ethyl 1-(4-methoxyphenyl)-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrazole-3-carboxylate；ethyl 1-(4-methoxyphenyl)-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrazole-3-carboxylate
• CAS: 1421357-51-8
• 化学式: C₁₉H₂₄N₂O₅
• 分子量: 360.41
• InChiKey: HOYSNWRQMINBEG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  26
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  79.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  ethyl 2-(N-(4-methoxyphenyl)hydrazono)acetate 在 dirhodium tetraacetate 、 scandium tris(trifluoromethanesulfonate) 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成 ethyl 5-[2-(tert-butoxy)-2-oxoethyl]-1-(4-methoxyphenyl)-1Hpyrazole-3-carboxylate
  参考文献：
  名称：

  Vinylogous Reactivity of Enol Diazoacetates with Donor–Acceptor Substituted Hydrazones. Synthesis of Substituted Pyrazole Derivatives

  摘要：

  A regiospecific synthesis of multifunctional pyrazoles has been developed from a cascade process triggered by Rh(II)-catalyzed dinitrogen extrusion from enol diazoacetates with vinylogous nucleophilic addition followed by Lewis acid catalyzed cyclization and aromatization.

  DOI：

  10.1021/jo302696y

文献信息

• Vinylogous Reactivity of Enol Diazoacetates with Donor–Acceptor Substituted Hydrazones. Synthesis of Substituted Pyrazole Derivatives
  作者：Xinfang Xu、Peter Y. Zavalij、Wenhao Hu、Michael P. Doyle

  DOI：10.1021/jo302696y

  日期：2013.2.15

  A regiospecific synthesis of multifunctional pyrazoles has been developed from a cascade process triggered by Rh(II)-catalyzed dinitrogen extrusion from enol diazoacetates with vinylogous nucleophilic addition followed by Lewis acid catalyzed cyclization and aromatization.