6-butyroyl-7-nitro-1,4-benzodioxane | 361372-42-1

• 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: 6-butyroyl-7-nitro-1,4-benzodioxane
• 英文别名: 1-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-one；Butan-1-one, 1-(2,3-dihydro-7-nitro-1,4-benzodioxin-6-yl)-；1-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)butan-1-one
• CAS: 361372-42-1
• 化学式: C₁₂H₁₃NO₅
• 分子量: 251.239
• InChiKey: YYJIZJTYDLHGDD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  18
• 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：
  81.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  6-butyroyl-7-nitro-1,4-benzodioxane 在 水 、 铁粉 作用下， 以 苯 为溶剂， 以81%的产率得到1-(7-氨基-2,3-二氢-1,4-苯并二氧杂环己-6-基)-1-丁酮
  参考文献：
  名称：

  4H-3,1-benzoxazines from benzyl cyclopropanes. First example of acid catalyzed rearrangement in ortho-substituted benzylcyclo-propanes

  摘要：

  The synthesis of 2-N-acylamino-substituted benzylcyclopropanes has been carried out. It was established that under the action of acids 2-N-acylamino-substituted benzylcyclopropanes are rearranged into the corresponding 4H-3,1-benzoxazines and not into the expected 3,1-benzoxazepines. It was shown that a similar type of rearrangement is also characteristic for 2-N-acylamino-substituted allylbenzenes.

  DOI：

  10.1007/s10593-009-0400-x
• 作为产物：
  描述：

  1-(2,3-二氢-1,4-苯并二氧杂环己-6-基)-1-丁酮 在 硝酸乙酸酐 、 乙酸酐 作用下， 以84%的产率得到6-butyroyl-7-nitro-1,4-benzodioxane
  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

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.
• 4H-3,1-benzoxazines from benzyl cyclopropanes. First example of acid catalyzed rearrangement in ortho-substituted benzylcyclo-propanes
  作者：E. V. Trofimova、B. P. Archegov、A. N. Fedotov、R. A. Gazzaeva、S. S. Mochalov、N. S. Zefirov

  DOI：10.1007/s10593-009-0400-x

  日期：2009.9

  The synthesis of 2-N-acylamino-substituted benzylcyclopropanes has been carried out. It was established that under the action of acids 2-N-acylamino-substituted benzylcyclopropanes are rearranged into the corresponding 4H-3,1-benzoxazines and not into the expected 3,1-benzoxazepines. It was shown that a similar type of rearrangement is also characteristic for 2-N-acylamino-substituted allylbenzenes.