7-cyclopropanoyl-6-nitro-1,3-benzodioxane | 905808-78-8

• 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: 7-cyclopropanoyl-6-nitro-1,3-benzodioxane
• 英文别名: Cyclopropyl(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)methanone；cyclopropyl-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone
• CAS: 905808-78-8
• 化学式: C₁₂H₁₁NO₅
• mdl: MFCD08685671
• 分子量: 249.223
• InChiKey: IGRBJPKAWMALAS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  81.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  7-cyclopropanoyl-6-nitro-1,3-benzodioxane 在 铁粉 、 水 作用下， 以 苯 为溶剂， 反应 0.5h， 以68%的产率得到6-amino-7-cyclopropylcarbonyl-1,4-benzodioxane
  参考文献：
  名称：

  A new effective route for the synthesis of substituted 2h-indazoles

  摘要：

  A two-stage synthesis of 2H-indazoles has been established, based on consecutive reactions of reduction of 2-alkyl-, 2-cyclopropyl-, and 2-arylcarbonylazobenzenes to phenylazo-substituted benzyl alcohols and intramolecular heterocyclization of the reduction products under the influence of organic acids.

  DOI：

  10.1007/s10593-010-0409-1
• 作为产物：
  描述：

  6-cyclopropanoyl-1,4-benzodioxane 在 硝酸 、 溶剂黄146 作用下， 以84%的产率得到7-cyclopropanoyl-6-nitro-1,3-benzodioxane
  参考文献：
  名称：

  Synthesis of cyclopropyl-substituted 4H-3,1-benzoxazines from 2-amino-phenyl cyclopropyl ketones and 2-cyclopropanoylaminoacylbenzenes

  摘要：

  2- and 4-cyclopropyl- and 2,4-dicyclopropyl-substituted 4H-3,1-benzoxazines were synthesized by the intramolecular acid catalyzed heterocyclization of ortho-acylamino-substituted benzyl alcohols, obtained from 2-aminophenyl cyclopropyl ketones and 2-cyclopropanoylaminoacylbenzenes.

  DOI：

  10.1007/s10593-009-0251-5

文献信息

• A new effective route for the synthesis of substituted 2h-indazoles
  作者：S. S. Mochalov、M. I. Khasanov、E. V. Trofimova、A. N. Fedotov、N. S. Zefirov

  DOI：10.1007/s10593-010-0409-1

  日期：2009.10

  A two-stage synthesis of 2H-indazoles has been established, based on consecutive reactions of reduction of 2-alkyl-, 2-cyclopropyl-, and 2-arylcarbonylazobenzenes to phenylazo-substituted benzyl alcohols and intramolecular heterocyclization of the reduction products under the influence of organic acids.
• Synthesis of cyclopropyl-substituted 4H-3,1-benzoxazines from 2-amino-phenyl cyclopropyl ketones and 2-cyclopropanoylaminoacylbenzenes
  作者：S. S. Mochalov、M. I. Khasanov、N. S. Zefirov

  DOI：10.1007/s10593-009-0251-5

  日期：2009.2

  2- and 4-cyclopropyl- and 2,4-dicyclopropyl-substituted 4H-3,1-benzoxazines were synthesized by the intramolecular acid catalyzed heterocyclization of ortho-acylamino-substituted benzyl alcohols, obtained from 2-aminophenyl cyclopropyl ketones and 2-cyclopropanoylaminoacylbenzenes.