2,4-dibutyl-1-nitrobenzene

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,4-dibutyl-1-nitrobenzene
• 英文别名: 2,4-Dibutylnitrobenzene
• 化学式: C₁₄H₂₁NO₂
• 分子量: 235.326
• InChiKey: GMYDZEQSSXLBCL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  对二硝基苯 、 正丁基氯化镁 在 N,N,N,N-tetraethylammonium tetrafluoroborate 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 以12%的产率得到1-丁基-4-硝基苯
  参考文献：
  名称：

  Electrochemical Synthesis of Alkyl Nitroaromatic Compounds

  摘要：

  Alkyl nitroaromatic compounds were readily prepared via nucleophilic aromatic substitution for hydrogen or a heteroatom by electrochemical oxidation of the a-complex. Butyllithium and butylmagnesium chloride were used as nucleophiles, and several nitrocompounds were tested to explore the possibilities of the NASH and NASX reactions promoted electrochemically.

  DOI：

  10.1021/jo025898k

文献信息

• Electrochemical Synthesis of Alkyl Nitroaromatic Compounds
  作者：Iluminada Gallardo、Gonzalo Guirado、Jordi Marquet

  DOI：10.1021/jo025898k

  日期：2003.1.1

  Alkyl nitroaromatic compounds were readily prepared via nucleophilic aromatic substitution for hydrogen or a heteroatom by electrochemical oxidation of the a-complex. Butyllithium and butylmagnesium chloride were used as nucleophiles, and several nitrocompounds were tested to explore the possibilities of the NASH and NASX reactions promoted electrochemically.