4-(2-hydroxyethyl)-1,1,3,3-tetramethyl-5-oxo-11-phenyl-1,2,3,3b,4,5-hexahydropyrrolo[3',4':3,4]pyrido[1,2-a]quinazolin-2-oxyl | 1422058-70-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: 4-(2-hydroxyethyl)-1,1,3,3-tetramethyl-5-oxo-11-phenyl-1,2,3,3b,4,5-hexahydropyrrolo[3',4':3,4]pyrido[1,2-a]quinazolin-2-oxyl
• CAS: 1422058-70-5
• 化学式: C₂₆H₂₈N₃O₃
• 分子量: 430.527
• InChiKey: OMQXSXAYBFPDKG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  32
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  48
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  靛红酸酐 、 C.I.酸性橙108 、 2,2,5,5-tetramethyl-4-phenylethynyl-2,5-dihydro-1H-pyrrole-3-carbaldehyde-1-yloxyl radical 在 ytterbium(III) triflate 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 48.0h， 以28%的产率得到4-(2-hydroxyethyl)-1,1,3,3-tetramethyl-5-oxo-11-phenyl-1,2,3,3b,4,5-hexahydropyrrolo[3',4':3,4]pyrido[1,2-a]quinazolin-2-oxyl
  参考文献：
  名称：

  Synthesis of Nitroxide-Annulated Carbocycles and Heterocycles

  摘要：

  New, pyrroline nitroxide annulated lactones, polycycles, and maleimide were synthesized by classical and microwave-assisted methodology. We report the application of the metathesis reaction in the presence of nitroxide yielding a pyrroline nitroxide condensed 1,4-benzoquinone as a paramagnetic dienophile. The formation of the isoselenazolone-fused pyrroline ring system was examined and different reactivity was observed with pyrrolin-1-oxyl and pyrroline derivatives.

  DOI：

  10.1055/s-0032-1317516

文献信息

• Synthesis of Nitroxide-Annulated Carbocycles and Heterocycles
  作者：Kálmán Hideg、Tamás Kálai、Balázs Bognár、Dániel Zsolnai、Zoltán Berente

  DOI：10.1055/s-0032-1317516

  日期：——

  New, pyrroline nitroxide annulated lactones, polycycles, and maleimide were synthesized by classical and microwave-assisted methodology. We report the application of the metathesis reaction in the presence of nitroxide yielding a pyrroline nitroxide condensed 1,4-benzoquinone as a paramagnetic dienophile. The formation of the isoselenazolone-fused pyrroline ring system was examined and different reactivity was observed with pyrrolin-1-oxyl and pyrroline derivatives.