3-(Diethylamino)-5-[2'-hydroxy-4'-(4-cyanobutoxy)phenyl]isoxazole | 271597-43-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-(Diethylamino)-5-[2'-hydroxy-4'-(4-cyanobutoxy)phenyl]isoxazole
• 英文别名: 5-[4-[3-(Diethylamino)isoxazol-5-yl]-3-hydroxy-phenoxy]pentanenitrile；5-[4-[3-(diethylamino)-1,2-oxazol-5-yl]-3-hydroxyphenoxy]pentanenitrile
• CAS: 271597-43-4
• 化学式: C₁₈H₂₃N₃O₃
• 分子量: 329.399
• InChiKey: IPYVRGHUGCETIS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  24
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  82.5
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-(Diethylamino)-5-[2'-hydroxy-4'-(4-cyanobutoxy)phenyl]isoxazole 在 platinum(IV) oxide 氢气 作用下， 以 甲醇 、 氯仿 为溶剂， 以60.5%的产率得到3-(Diethylamino)-5-[2'-hydroxy-4'-(5-aminopentoxy)phenyl]isoxazole
  参考文献：
  名称：

  Disoxaril-related 3-(diethylamino)-5-phenylisoxazoles

  摘要：

  Previous research has shown that 3-(dialkylamino)-5-phenylisoxazoles possessing a compact structure were active against HRV-2 and, consequently, presented a type B activity. In this paper, 3-(diethylamino)-5-phenylisoxazoles, which are structurally more elongated and related to Disoxaril, were synthesized in view to attempt type A activity against HRV-14. Unfortunately, all tested compounds were devoid of activity against HRV-14 (and HIV-1) of exhibited great toxicity. (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(00)00002-1
• 作为产物：
  描述：

  5-氯戊腈 在 吡啶 、 盐酸羟胺 、 potassium carbonate 作用下， 以 乙醇 、 1,2-二氯乙烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 34.0h， 生成 3-(Diethylamino)-5-[2'-hydroxy-4'-(4-cyanobutoxy)phenyl]isoxazole
  参考文献：
  名称：

  Disoxaril-related 3-(diethylamino)-5-phenylisoxazoles

  摘要：

  Previous research has shown that 3-(dialkylamino)-5-phenylisoxazoles possessing a compact structure were active against HRV-2 and, consequently, presented a type B activity. In this paper, 3-(diethylamino)-5-phenylisoxazoles, which are structurally more elongated and related to Disoxaril, were synthesized in view to attempt type A activity against HRV-14. Unfortunately, all tested compounds were devoid of activity against HRV-14 (and HIV-1) of exhibited great toxicity. (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(00)00002-1