3-(pyridin-2-yl-4-phenyl-5-benzyl-)-1,3,4,5,5a,6,7,8,9,9a-decahydro-isoxazolo-[4,3-c]quinoline | 1357256-86-0

• 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: 3-(pyridin-2-yl-4-phenyl-5-benzyl-)-1,3,4,5,5a,6,7,8,9,9a-decahydro-isoxazolo-[4,3-c]quinoline
• 英文别名: 5-benzyl-4-phenyl-3-pyridin-2-yl-3,4,5a,6,7,8,9,9a-octahydro-1H-[1,2]oxazolo[4,3-c]quinoline
• CAS: 1357256-86-0
• 化学式: C₂₈H₂₉N₃O
• 分子量: 423.558
• InChiKey: JJQHRZMERXCEHL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  32
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  37.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-benzyl-2-phenyl-3-(pyridin-2-ylmethylene)octahydroquinolin-4-one 在 盐酸羟胺 、 sodium acetate 作用下， 以 水 为溶剂， 反应 3.5h， 以84%的产率得到3-(pyridin-2-yl-4-phenyl-5-benzyl-)-1,3,4,5,5a,6,7,8,9,9a-decahydro-isoxazolo-[4,3-c]quinoline
  参考文献：
  名称：

  Isoxazoles incorporated N-substituted decahydroquinolines: A precursor to the next generation antimicrobial drug

  摘要：

  We report here a simple entry into N-substituted decahydroisoxazoloquinoline system with substituents at position 3 and 4 from the readily available substrates for the first time. The synthesized iso-xazoloquinolines were evaluated against six bacterial and four fungal strains. The results suggest that the decahydroisoxazolo[4,3-c]quinoline scaffold has the potential to be developed into therapeutically useful antimicrobial agents. (C) 2011 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.10.045

文献信息

• Isoxazoles incorporated N-substituted decahydroquinolines: A precursor to the next generation antimicrobial drug
  作者：Mariappan Babu、Kasi Pitchumani、Penugonda Ramesh

  DOI：10.1016/j.ejmech.2011.10.045

  日期：2012.1

  We report here a simple entry into N-substituted decahydroisoxazoloquinoline system with substituents at position 3 and 4 from the readily available substrates for the first time. The synthesized iso-xazoloquinolines were evaluated against six bacterial and four fungal strains. The results suggest that the decahydroisoxazolo[4,3-c]quinoline scaffold has the potential to be developed into therapeutically useful antimicrobial agents. (C) 2011 Elsevier Masson SAS. All rights reserved.