1-(1-丁基-2-甲基吡咯-3-基)乙酮 | 112722-71-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-(1-丁基-2-甲基吡咯-3-基)乙酮
• 英文名称: 1-(1-butyl-2-methyl-1H-pyrrol-3-yl)ethanone
• 英文别名: 3-acetyl-1-n-butyl-2-methylpyrrole；Ethanone, 1-(1-butyl-2-methyl-1H-pyrrol-3-yl)-；1-(1-butyl-2-methylpyrrol-3-yl)ethanone
• CAS: 112722-71-1
• 化学式: C₁₁H₁₇NO
• 分子量: 179.262
• InChiKey: ZQZPBVULVVFDKZ-UHFFFAOYSA-N

物化性质

• 熔点：
  68 °C
• 沸点：
  106 °C(Press: 2 Torr)
• 密度：
  0.96±0.1 g/cm3(Predicted)

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：
  0.55
• 拓扑面积：
  22
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  (2Z)-3-偶氮基-4-氧代-2-戊烯-2-醇 在 dirhodium tetraacetate 作用下， 以 甲醇 、 溶剂黄146 为溶剂， 反应 48.0h， 生成 1-(1-丁基-2-甲基吡咯-3-基)乙酮
  参考文献：
  名称：

  A Two Step Synthesis of 1,2,3-Substituted Pyrroles

  摘要：

  A method for preparing substituted pyrroles 3a-g in two steps from dihydrofurans 2a-b which were synthesized from alpha,alpha'-diazocarbonyl derivatives 1a-b was developed. The relevance of this research work lies in the easiness of preparing the substituted dihydrofurans and transforming them into pyrroles under mild conditions.

  DOI：

  10.1080/00397910008086932

文献信息

• A Green and Efficient One-pot Synthesis of 1,2,3-Trisubstituted Pyrroles via Iodine-catalyzed Tandem Reaction
  作者：Pengfei Xu、Kunzhu Huang、Dongsheng Cao、Wenbin Zeng

  DOI：10.2174/1570178612666150119232103

  日期：2015.3.24

  A green, efficient and operationally simple method for three-component synthesis of 1,2,3- trisubstituted pyrrole derivatives via an iodine-catalyzed tandem reaction has been developed, and a series of 1,2,3-trisubstituted pyrrole derivatives were synthesized from simple starting materials under neutral conditions, with good to excellent yields in short time. This method showcased the potential of great value as a mild, rapid, and general procedure for the synthesis of 1,2,3-trisubstituted pyrroles.

  通过碘催化串联反应，建立了一种绿色、高效、操作简单的三组分合成1,2,3-三取代吡咯衍生物的方法，在中性条件下以简单的起始原料合成了一系列1,2,3-三取代吡咯衍生物，并在短时间内获得了良好甚至优异的产率。该方法是一种温和、快速、通用的合成 1,2,3-三取代吡咯的方法，具有巨大的潜在价值。
• VARTANYAN M. M.; RUNOVA E. A.; TANCHUK N. M.; KARAXANOV EH. A., BECTH. MGU. XIMIYA, 28,(1987) N 4, 386-388
  作者：VARTANYAN M. M.、 RUNOVA E. A.、 TANCHUK N. M.、 KARAXANOV EH. A.

  DOI：——

  日期：——
• A Two Step Synthesis of 1,2,3-Substituted Pyrroles
  作者：Anna C. Cunha、Leticia O.R. Pereira、Rodrigo O. P. de Souza、Maria Cecilia B. V. de Souza、Vitor F. Ferreira

  DOI：10.1080/00397910008086932

  日期：2000.9

  A method for preparing substituted pyrroles 3a-g in two steps from dihydrofurans 2a-b which were synthesized from alpha,alpha'-diazocarbonyl derivatives 1a-b was developed. The relevance of this research work lies in the easiness of preparing the substituted dihydrofurans and transforming them into pyrroles under mild conditions.