Ethyl 1-ethyl-5-methylpyrrole-2-carboxylate | 179122-03-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: Ethyl 1-ethyl-5-methylpyrrole-2-carboxylate
• CAS: 179122-03-3
• 化学式: C₁₀H₁₅NO₂
• 分子量: 181.235
• InChiKey: ROIZRFKBDWQYPD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  31.2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  Ethyl 1-ethyl-5-methylpyrrole-2-carboxylate 在 硝酸 作用下， 以65%的产率得到Ethyl 1-ethyl-5-methyl-4-nitropyrrole-2-carboxylate
  参考文献：
  名称：

  Synthesis and nucleophilic properties of 1,2-dialkyl-3-nitropyrroles and 1,5-dialkyl-4-nitropyrrole-2-carboxylic acid derivatives

  摘要：

  1,2-Dialkyl-3-nitropyrroles 1 are versatile synthetic tools for obtaining substituted pyrrolidines or fused ring heterocycles such as pyrrolopyridines, pyrrolopyrimidines or pyrroloazepines. We have established a method for obtaining compounds related to structure 1 and studied the reactivity as a nucleophile of the benzylic type moiety in the alkyl residue bound to position 2.

  DOI：

  10.1039/p19960002277
• 作为产物：
  描述：

  2-甲基吡咯 在 氢氧化钾 、 sodium ethanolate 作用下， 以 乙醚 、 二甲基亚砜 为溶剂， 反应 1.5h， 生成 Ethyl 1-ethyl-5-methylpyrrole-2-carboxylate
  参考文献：
  名称：

  Synthesis and nucleophilic properties of 1,2-dialkyl-3-nitropyrroles and 1,5-dialkyl-4-nitropyrrole-2-carboxylic acid derivatives

  摘要：

  1,2-Dialkyl-3-nitropyrroles 1 are versatile synthetic tools for obtaining substituted pyrrolidines or fused ring heterocycles such as pyrrolopyridines, pyrrolopyrimidines or pyrroloazepines. We have established a method for obtaining compounds related to structure 1 and studied the reactivity as a nucleophile of the benzylic type moiety in the alkyl residue bound to position 2.

  DOI：

  10.1039/p19960002277

文献信息

• Moranta, Concepcio; Molins-Pujol, Antoni M.; Pujol, M. Dolors, Journal of the Chemical Society. Perkin transactions I, 1998, # 19, p. 3285 - 3291
  作者：Moranta, Concepcio、Molins-Pujol, Antoni M.、Pujol, M. Dolors、Bonal, Joaquim

  DOI：——

  日期：——
• Synthesis and nucleophilic properties of 1,2-dialkyl-3-nitropyrroles and 1,5-dialkyl-4-nitropyrrole-2-carboxylic acid derivatives
  作者：Antoni M. Molins-Pujol、Concepció Moranta、Carmina Arroyo、M. Teresa Rodríguez、M. Carmen Meca、M. Dolors Pujol、Joaquim Bonal

  DOI：10.1039/p19960002277

  日期：——

  1,2-Dialkyl-3-nitropyrroles 1 are versatile synthetic tools for obtaining substituted pyrrolidines or fused ring heterocycles such as pyrrolopyridines, pyrrolopyrimidines or pyrroloazepines. We have established a method for obtaining compounds related to structure 1 and studied the reactivity as a nucleophile of the benzylic type moiety in the alkyl residue bound to position 2.