6,8-Dioxo-6,7,8,9-tetrahydro-5-oxa-9-aza-benzocycloheptene-3-carboxylic acid | 158198-38-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 6,8-Dioxo-6,7,8,9-tetrahydro-5-oxa-9-aza-benzocycloheptene-3-carboxylic acid
• 英文别名: 2,4-dioxo-5H-1,5-benzoxazepine-8-carboxylic acid
• CAS: 158198-38-0
• 化学式: C₁₀H₇NO₅
• 分子量: 221.169
• InChiKey: NSFNDJLCDSHMNL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  92.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  6,8-Dioxo-6,7,8,9-tetrahydro-5-oxa-9-aza-benzocycloheptene-3-carboxylic acid 在 对硝基苯酚 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 生成 (2S,5R,6R)-6-[(2,4-dioxo-5H-1,5-benzoxazepine-8-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic 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
• 作为产物：
  描述：

  二氧化三碳 、 4-氨基-3-羟基苯甲酸 以 丙酮 为溶剂， 反应 48.0h， 以48%的产率得到6,8-Dioxo-6,7,8,9-tetrahydro-5-oxa-9-aza-benzocycloheptene-3-carboxylic 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.