2-Formyl-3-ethoxycarbonyl-5-methylpyrrol | 19075-69-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 2-Formyl-3-ethoxycarbonyl-5-methylpyrrol
• 英文别名: 2-formyl-5-methyl-pyrrole-3-carboxylic acid ethyl ester；Ethyl 2-formyl-5-methyl-1H-pyrrole-3-carboxylate；ethyl 2-formyl-5-methyl-1H-pyrrole-3-carboxylate
• CAS: 19075-69-5
• 化学式: C₉H₁₁NO₃
• 分子量: 181.191
• InChiKey: YDSRJOYRBFWCCI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  59.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4,4-二乙氧基-3-氧代丁酸乙酯 、 一氯丙酮 在 四丁基溴化铵 、 potassium carbonate 、 ammonium acetate 、 水 、 溶剂黄146 作用下， 以 乙腈 为溶剂， 反应 3.0h， 以56%的产率得到2-Formyl-3-ethoxycarbonyl-5-methylpyrrol
  参考文献：
  名称：

  Synthesis of 2,3-dicarbonylated pyrroles and furans via the three-component Hantzsch reaction

  摘要：

  Pyrroles containing a 2,3-dicarbonyl substitution pattern are synthesized in one step via a three-component Hantzsch procedure. The normally difficult-to-access substrates are readily obtained in short reaction times and in moderate to good yields, giving pharmaceutically attractive products containing multiple handles for further elaboration. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.04.022

文献信息

• [EN] MACROCYCLES AND THEIR USE<br/>[FR] MACROCYCLES ET LEUR UTILISATION
  申请人：BLOSSOMHILL THERAPEUTICS INC

  公开号：WO2022011123A1

  公开（公告）日：2022-01-13

  The present disclosure relates to macrocyclic compounds, pharmaceutical compositions containing macrocyclic compounds, and methods of using macrocyclic compounds to treat disease, such as cancer.

  本公开涉及大环化合物、含有大环化合物的药物组合物，以及利用大环化合物治疗疾病（如癌症）的方法。
• Synthesis of 2,3-dicarbonylated pyrroles and furans via the three-component Hantzsch reaction
  作者：Thomas A. Moss、Thorsten Nowak

  DOI：10.1016/j.tetlet.2012.04.022

  日期：2012.6

  Pyrroles containing a 2,3-dicarbonyl substitution pattern are synthesized in one step via a three-component Hantzsch procedure. The normally difficult-to-access substrates are readily obtained in short reaction times and in moderate to good yields, giving pharmaceutically attractive products containing multiple handles for further elaboration. (C) 2012 Elsevier Ltd. All rights reserved.