3-(2,4-Dioxo-1,5-benzodioxepin-7-yl)propanoic acid | 158198-41-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 3-(2,4-Dioxo-1,5-benzodioxepin-7-yl)propanoic acid
• CAS: 158198-41-5
• 化学式: C₁₂H₁₀O₆
• 分子量: 250.208
• InChiKey: MELIXZIKAGWSEE-UHFFFAOYSA-N

物化性质

• 沸点：
  448.2±45.0 °C(predicted)
• 密度：
  1.445±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  89.9
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-(2,4-Dioxo-1,5-benzodioxepin-7-yl)propanoic acid 在 对硝基苯酚 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 生成
  参考文献：
  名称：

  Synthesis and antimicrobial activity of coumarin and benzodioxazepine-, diazazepine- and benzoxazepine-substituted penicillins

  摘要：

  Some semisynthetic penicillins 6-substituted with benzo-condensed heterocyclic derivatives were prepared using the reaction of carbon suboxide with Schiff bases and disubstituted benzoic acids. The microbiological assay performed with the penicillins and their intermediates showed a good activity for one Schiff base and a weak activity for the other compounds.

  DOI：

  10.1016/0223-5234(94)90075-2
• 作为产物：
  描述：

  二氧化三碳 、 3,4-二羟基苯基丙酸 以 丙酮 为溶剂， 反应 48.0h， 以63%的产率得到3-(2,4-Dioxo-1,5-benzodioxepin-7-yl)propanoic acid
  参考文献：
  名称：

  Synthesis and antimicrobial activity of coumarin and benzodioxazepine-, diazazepine- and benzoxazepine-substituted penicillins

  摘要：

  Some semisynthetic penicillins 6-substituted with benzo-condensed heterocyclic derivatives were prepared using the reaction of carbon suboxide with Schiff bases and disubstituted benzoic acids. The microbiological assay performed with the penicillins and their intermediates showed a good activity for one Schiff base and a weak activity for the other compounds.

  DOI：

  10.1016/0223-5234(94)90075-2

文献信息

• Synthesis and antimicrobial activity of coumarin and benzodioxazepine-, diazazepine- and benzoxazepine-substituted penicillins
  作者：L Bonsignore、A De Logu、G Loy、SM Lavagna、D Secci

  DOI：10.1016/0223-5234(94)90075-2

  日期：1994.1

  Some semisynthetic penicillins 6-substituted with benzo-condensed heterocyclic derivatives were prepared using the reaction of carbon suboxide with Schiff bases and disubstituted benzoic acids. The microbiological assay performed with the penicillins and their intermediates showed a good activity for one Schiff base and a weak activity for the other compounds.