6-amino-7-(4-chlorobenzoyl)-1,4-benzodioxane | 696628-26-9

• 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: 6-amino-7-(4-chlorobenzoyl)-1,4-benzodioxane
• 英文别名: (7-Amino-2,3-dihydro-1,4-benzodioxin-6-yl)(4-chlorophenyl)methanone；(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)-(4-chlorophenyl)methanone
• CAS: 696628-26-9
• 化学式: C₁₅H₁₂ClNO₃
• mdl: MFCD02601676
• 分子量: 289.718
• InChiKey: GPGKLDZOHOVEIY-UHFFFAOYSA-N

物化性质

• 熔点：
  123-124 °C(Solv: ethanol (64-17-5))
• 沸点：
  516.2±50.0 °C(Predicted)
• 密度：
  1.375±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  61.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-amino-7-(4-chlorobenzoyl)-1,4-benzodioxane 、 戊酰氯 在 sodium hydroxide 作用下， 以 1,4-二氧六环 为溶剂， 反应 0.5h， 以83%的产率得到N-{7-[(4-chlorophenyl)carbonyl]-2,3-dihydro-1,4-benzodioxin-6-yl}pentanamide
  参考文献：
  名称：

  Synthesis of quinolin-2-ones by an intramolecular Knoevenagel condensation and by tandem Michael–Knoevenagel heterocyclization

  摘要：

  The synthesis of 2-(N-R-amino)- and 2-(N-vinylcarbonylamino)acylbenzenes has been carried out and their heterocyclization into quinolin-2-ones under the action of sodium ethylate has been studied.

  DOI：

  10.1007/s10593-011-0881-2
• 作为产物：
  描述：

  6-(4-Chlorobenzoyl)-7-nitro-2,3-dihydro-1,4-benzodioxine 在 铁粉 、 水 作用下， 以 苯 为溶剂， 反应 0.5h， 以82%的产率得到6-amino-7-(4-chlorobenzoyl)-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

文献信息

• Synthesis of quinolin-2-ones by an intramolecular Knoevenagel condensation and by tandem Michael–Knoevenagel heterocyclization
  作者：S. S. Mochalov、M. I. Chasanov、A. N. Fedotov、N. S. Zefirov

  DOI：10.1007/s10593-011-0881-2

  日期：2011.12

  The synthesis of 2-(N-R-amino)- and 2-(N-vinylcarbonylamino)acylbenzenes has been carried out and their heterocyclization into quinolin-2-ones under the action of sodium ethylate has been studied.
• 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.