ethyl 4,5-dimethyl-2-nitrophenylcarboxylate | 1338469-24-1

• 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: ethyl 4,5-dimethyl-2-nitrophenylcarboxylate
• 英文别名: Ethyl 4,5-dimethyl-2-nitrobenzoate
• CAS: 1338469-24-1
• 化学式: C₁₁H₁₃NO₄
• 分子量: 223.229
• InChiKey: RJGFMGPWTRGLDZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  72.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  ethyl 3-bromo-3-nitroacrylate 、 2,3-二甲基-1,3-丁二烯 在 对苯二酚 作用下， 以 苯 为溶剂， 反应 2.0h， 以91%的产率得到ethyl 6-bromo-3,4-dimethyl-6-nitro-3-cyclohexen-1-ylcarboxylate
  参考文献：
  名称：

  Synthesis and structure of nitrocyclohexenylcarboxylates

  摘要：

  The diene condensation of 3-nitro-and 3-bromo-3-nitroacrylates with 2,3-dimethyl-1,3-butadiene and isoprene obtained under the reaction condition from 3-methyl-3-thiolene-1,1-dioxide was investigated. The formed 6-nitro-3-cyclohexenylcarboxylates were subjected to the intramolecular transformation (dehydration and dehydrohalogenation) to give the corresponding nitrocyclohexadienyl-and arylcarboxylates. The structure of the obtained compounds was established from the IR, H-1 NMR spectra and independent synthesis. DOI: 10.1134/S1070363211090180

  DOI：

  10.1134/s1070363211090180

文献信息

• Synthesis and structure of nitrocyclohexenylcarboxylates
  作者：N. A. Anisimova、A. A. Kuzhaeva、G. A. Berkova、V. M. Berestovitskaya

  DOI：10.1134/s1070363211090180

  日期：2011.9

  The diene condensation of 3-nitro-and 3-bromo-3-nitroacrylates with 2,3-dimethyl-1,3-butadiene and isoprene obtained under the reaction condition from 3-methyl-3-thiolene-1,1-dioxide was investigated. The formed 6-nitro-3-cyclohexenylcarboxylates were subjected to the intramolecular transformation (dehydration and dehydrohalogenation) to give the corresponding nitrocyclohexadienyl-and arylcarboxylates. The structure of the obtained compounds was established from the IR, H-1 NMR spectra and independent synthesis. DOI: 10.1134/S1070363211090180