3-(2-phenylethynyl)-5H-indazolo[3,2-b]benzo[d]-1,3-oxazine | 1004530-96-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 英文名称: 3-(2-phenylethynyl)-5H-indazolo[3,2-b]benzo[d]-1,3-oxazine
• 英文别名: 3-(2-phenylethynyl)-5H-indazolo[2,3-a][3,1]benzoxazine
• CAS: 1004530-96-4
• 化学式: C₂₂H₁₄N₂O
• 分子量: 322.366
• InChiKey: PUKGETMWNPLXLJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  27
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3-iodo-5H-indazolo[3,2-b]benzo[d]-1,3-oxazine 、 苯乙炔 在 bis-triphenylphosphine-palladium(II) chloride copper(l) iodide 、 三乙胺 作用下， 以 乙腈 为溶剂， 生成 3-(2-phenylethynyl)-5H-indazolo[3,2-b]benzo[d]-1,3-oxazine
  参考文献：
  名称：

  A Facile Synthesis of New 5H-Indazolo[3,2-b]benzo[d]-1,3-oxazines via One-Pot Intramolecular Bis-heterocyclizations

  摘要：

  [GRAPHICS]The parent 5H-indazolo[3,2-b]benzo[d]-1,3-oxazine heterocycle as well as a series of novel analogues have been synthesized utilizing two subsequent intramolecular heterocyclizations in one pot. A variety of diversity groups were added to explore the scope of this reaction and to provide a number of new compounds for biological screening.

  DOI：

  10.1021/jo702067z

文献信息

• A Facile Synthesis of New 5<i>H</i>-Indazolo[3,2-<i>b</i>]benzo[<i>d</i>]-1,3-oxazines via One-Pot Intramolecular Bis-heterocyclizations
  作者：Jeffrey D. Butler、Danielle M. Solano、Lori I. Robins、Makhluf J. Haddadin、Mark J. Kurth

  DOI：10.1021/jo702067z

  日期：2008.1.1

  [GRAPHICS]The parent 5H-indazolo[3,2-b]benzo[d]-1,3-oxazine heterocycle as well as a series of novel analogues have been synthesized utilizing two subsequent intramolecular heterocyclizations in one pot. A variety of diversity groups were added to explore the scope of this reaction and to provide a number of new compounds for biological screening.