5H-benzo[4',5'][1,3]oxazino[3',2':1,5]pyrazolo[4,3-b]quinoline | 1266122-26-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 5H-benzo[4',5'][1,3]oxazino[3',2':1,5]pyrazolo[4,3-b]quinoline
• 英文别名: 21-Oxa-3,12,13-triazapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1,3,5,7,9,11,14,16,18-nonaene；21-oxa-3,12,13-triazapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1,3,5,7,9,11,14,16,18-nonaene
• CAS: 1266122-26-2
• 化学式: C₁₇H₁₁N₃O
• 分子量: 273.294
• InChiKey: KOAKFECNHIQCNA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  21
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  39.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  在 potassium hydroxide 作用下， 以 水 、 异丙醇 为溶剂， 反应 3.0h， 生成 5H-benzo[4',5'][1,3]oxazino[3',2':1,5]pyrazolo[4,3-b]quinoline
  参考文献：
  名称：

  Facile Syntheses of Novel Benzo- 1,3-dioxolo-, Benzothiazolo-, Pyrido-, and Quinolino-fused 5H-Benzo[d]-pyrazolo[5,1-b][1,3]-oxazines and 1H-Pyrazoles

  摘要：

  A number of novel benzo-1,3-dioxolo-, benzothiazolo-, pyrido-, and quinolino-fused 5H-benzo[d]pyrazolo[5,1-b][1,3]-oxazines and 1H-pyrazoles were synthesized utilizing an easy and effective N,N-bond forming heterocyclization reaction. In so doing, the substrate scope of this heterocyclization reaction, which starts with o-nitroheterocyclic aldehydes, was expanded to provide several unique heterocyclic compounds for biological screening. This work further demonstrates the versatility of this simple, base-mediated, one-pot heterocyclization method in the construction of novel heterocycles.

  DOI：

  10.1021/ol103108z

文献信息

• Facile Syntheses of Novel Benzo- 1,3-dioxolo-, Benzothiazolo-, Pyrido-, and Quinolino-fused 5<i>H</i>-Benzo[<i>d</i>]-pyrazolo[5,1-<i>b</i>][1,3]-oxazines and 1<i>H</i>-Pyrazoles
  作者：Belem Avila、Danielle M. Solano、Makhluf J. Haddadin、Mark J. Kurth

  DOI：10.1021/ol103108z

  日期：2011.3.4

  A number of novel benzo-1,3-dioxolo-, benzothiazolo-, pyrido-, and quinolino-fused 5H-benzo[d]pyrazolo[5,1-b][1,3]-oxazines and 1H-pyrazoles were synthesized utilizing an easy and effective N,N-bond forming heterocyclization reaction. In so doing, the substrate scope of this heterocyclization reaction, which starts with o-nitroheterocyclic aldehydes, was expanded to provide several unique heterocyclic compounds for biological screening. This work further demonstrates the versatility of this simple, base-mediated, one-pot heterocyclization method in the construction of novel heterocycles.