{9-[1-(4-chlorophenyl)-vinyl]-7,8,12-trioxaspiro[5.6]dodec-3-yl}-(4-fluorophenyl)-amine | 1083002-08-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: {9-[1-(4-chlorophenyl)-vinyl]-7,8,12-trioxaspiro[5.6]dodec-3-yl}-(4-fluorophenyl)-amine
• 英文别名: 9-[1-(4-chlorophenyl)ethenyl]-N-(4-fluorophenyl)-7,8,12-trioxaspiro[5.6]dodecan-3-amine
• CAS: 1083002-08-7
• 化学式: C₂₃H₂₅ClFNO₃
• 分子量: 417.908
• InChiKey: URQFTEXSQKJKHH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  39.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  9-[1-(4-Chlorophenyl)ethenyl]-7,8,12-trioxaspiro[5.6]dodecan-3-one 、 4-氟苯胺 在 三乙酰氧基硼氢化钠 作用下， 以 苯 为溶剂， 反应 2.5h， 以77%的产率得到{9-[1-(4-chlorophenyl)-vinyl]-7,8,12-trioxaspiro[5.6]dodec-3-yl}-(4-fluorophenyl)-amine
  参考文献：
  名称：

  New functionalized 1,2,4-trioxepanes: Synthesis and antimalarial activity against multi-drug resistant P. yoelii in mice

  摘要：

  A series of new amino functionalized 1,2,4-trioxepanes8-16 and ester functionalized 1,2,4-trioxepanes 17-19 have been synthesized and evaluated against multi-drug resistant Plasmodium yoelii in Swiss mice. Amino functionalized trioxepanes 14, the most active compound of the series, showed 100% clearance of parasitaemia by oral route on day 4 and 75% protection to the treated mice beyond day 28. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.08.096

文献信息

• New functionalized 1,2,4-trioxepanes: Synthesis and antimalarial activity against multi-drug resistant P. yoelii in mice
  作者：Chandan Singh、Shilpi Pandey、Ambuj K. Kushwaha、Sunil K. Puri

  DOI：10.1016/j.bmcl.2008.08.096

  日期：2008.10

  A series of new amino functionalized 1,2,4-trioxepanes8-16 and ester functionalized 1,2,4-trioxepanes 17-19 have been synthesized and evaluated against multi-drug resistant Plasmodium yoelii in Swiss mice. Amino functionalized trioxepanes 14, the most active compound of the series, showed 100% clearance of parasitaemia by oral route on day 4 and 75% protection to the treated mice beyond day 28. (C) 2008 Elsevier Ltd. All rights reserved.