2,6-Dimethyl-4-nitrobenzamide | 90868-33-0

• 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: 2,6-Dimethyl-4-nitrobenzamide
• 英文别名: 4-Nitro-2,6-dimethyl-benzamid；2,6-dimethyl-4-nitrobenzamide
• CAS: 90868-33-0
• 化学式: C₉H₁₀N₂O₃
• 分子量: 194.19
• InChiKey: JRSUYYPCWGNDAS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  88.9
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,6-Dimethyl-4-nitrobenzamide 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 以100%的产率得到4-Amino-2,6-dimethylbenzamide
  参考文献：
  名称：

  Dell'Erba, Carlo; Mele, Andrea; Novi, Marino, Journal of the Chemical Society. Perkin transactions II, 1990, # 12, p. 2055 - 2058

  摘要：

  DOI：
• 作为产物：
  描述：

  2,6-dimethyl-4-nitrobenzonitrile 在 硫酸 作用下， 反应 24.0h， 以65%的产率得到2,6-Dimethyl-4-nitrobenzamide
  参考文献：
  名称：

  Dell'Erba, Carlo; Mele, Andrea; Novi, Marino, Journal of the Chemical Society. Perkin transactions II, 1990, # 12, p. 2055 - 2058

  摘要：

  DOI：

文献信息

• 2,6-Dimethyl-4-nitrobenzoic Anhydride (DMNBA): An Effective Coupling Reagent for the Synthesis of Carboxylic Esters and Lactones
  作者：Isamu Shiina、Ryo Miyao

  DOI：10.3987/com-08-s(n)96

  日期：——

  Various carboxylic esters are obtained at room temperature in excellent yields with high chemoselectivities from nearly equimolar amounts of carboxylic acids and alcohols using 2,6-dimethyl-4-nitrobenzoic anhydride with triethylamine by the promotion of 4-(dimethylamino)pyridine. The efficiency of the esterification is compared to those of other dehydrations using substituted benzoic anhydrides as coupling reagents. This method was successfully applied to the synthesis of threo-aleuritic acid lactone and the desired 17-membered ring compound was prepared in high yield at room temperature from the corresponding free trihydroxycarboxylic acid using 2,6-dimethyl-4-nitrobenzoic anhydride in the presence of 4-(dimethylamino)pyridine.
• Dell'Erba, Carlo; Mele, Andrea; Novi, Marino, Journal of the Chemical Society. Perkin transactions II, 1990, # 12, p. 2055 - 2058
  作者：Dell'Erba, Carlo、Mele, Andrea、Novi, Marino、Petrillo, Giovanni、Sancassan, Fernando、Spinelli, Domenico

  DOI：——

  日期：——