1-(3,4-ethylenedioxyphenyl)propyl acetate | 444112-19-0

• 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-(3,4-ethylenedioxyphenyl)propyl acetate
• 英文别名: 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)propyl acetate
• CAS: 444112-19-0
• 化学式: C₁₃H₁₆O₄
• 分子量: 236.268
• InChiKey: LPGWINFGKVCTEK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(3,4-ethylenedioxyphenyl)propyl acetate 在 硝酸乙酸酐 、 硫酸 作用下， 以 乙酸酐 为溶剂， 反应 3.0h， 生成 1-(4,5-ethylenedioxy-2-nitrosophenyl)propan-1-one
  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：

  1-(2,3-二氢苯并[B][1,4]二氧杂环己烯-6-基)丙-1-酮 在 sodium tetrahydroborate 、 N,N-二甲基苯胺 作用下， 以 乙醚 、 乙醇 为溶剂， 反应 2.0h， 生成 1-(3,4-ethylenedioxyphenyl)propyl 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