1-(4,5-ethylenedioxy-2,3-dinitrophenyl)ethyl acetate | 312534-08-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并二恶烷
• 英文名称: 1-(4,5-ethylenedioxy-2,3-dinitrophenyl)ethyl acetate
• 英文别名: 1-(5,6-Dinitro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl acetate
• CAS: 312534-08-0
• 化学式: C₁₂H₁₂N₂O₈
• 分子量: 312.236
• InChiKey: QENKNBGINPEEFL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  136
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  1-(4,5-ethylenedioxy-2,3-dinitrophenyl)ethyl acetate 在 硫酸 、 水 作用下， 反应 1.0h， 以87%的产率得到1-(4,5-ethylenedioxy-3-nitro-2-nitrosophenyl)ethanone
  参考文献：
  名称：

  Synthesis of o-nitrosoacylbenzenes from o-nitrobenzyl alcohols and their derivatives

  摘要：

  Nitration of substituted benzyl alcohols, as well as ethers and esters derived therefrom, with nitric acid in acetic anhydride was studied. The corresponding o-nitrobenzyl alcohols and their derivatives formed as the primary products are capable of being converted into o-nitrosoacylbenzenes by the action of acids.

  DOI：

  10.1134/s1070428006010143
• 作为产物：
  描述：

  6-乙酰基-1,4-苯并二氧杂环 在 sodium tetrahydroborate 、 硝酸乙酸酐 、 硝酸 、 N,N-二甲基苯胺 作用下， 以 乙醚 、 乙醇 、 乙酸酐 为溶剂， 反应 5.0h， 生成 1-(4,5-ethylenedioxy-2,3-dinitrophenyl)ethyl acetate
  参考文献：
  名称：

  Synthesis of o-nitrosoacylbenzenes from o-nitrobenzyl alcohols and their derivatives

  摘要：

  Nitration of substituted benzyl alcohols, as well as ethers and esters derived therefrom, with nitric acid in acetic anhydride was studied. The corresponding o-nitrobenzyl alcohols and their derivatives formed as the primary products are capable of being converted into o-nitrosoacylbenzenes by the action of acids.

  DOI：

  10.1134/s1070428006010143

文献信息

• Synthesis of o-nitrosoacylbenzenes from o-nitrobenzyl alcohols and their derivatives
  作者：R. A. Gazzaeva、A. N. Fedotov、E. V. Trofimova、O. A. Popova、S. S. Mochalov、N. S. Zefirov

  DOI：10.1134/s1070428006010143

  日期：2006.1

  Nitration of substituted benzyl alcohols, as well as ethers and esters derived therefrom, with nitric acid in acetic anhydride was studied. The corresponding o-nitrobenzyl alcohols and their derivatives formed as the primary products are capable of being converted into o-nitrosoacylbenzenes by the action of acids.