2-(Diethylamino)-7-[4-(2'-oxazolinyl)butoxy]-4H-1-benzopyran-4-one | 271597-48-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 2-(Diethylamino)-7-[4-(2'-oxazolinyl)butoxy]-4H-1-benzopyran-4-one
• 英文别名: 2-(Diethylamino)-7-[4-(4,5-dihydrooxazol-2-yl)butoxy]chromen-4-one；2-(diethylamino)-7-[4-(4,5-dihydro-1,3-oxazol-2-yl)butoxy]chromen-4-one
• CAS: 271597-48-9
• 化学式: C₂₀H₂₆N₂O₄
• 分子量: 358.437
• InChiKey: BSAWCWRSXQVRJI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  26
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  60.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-(Diethylamino)-7-[4-(2'-oxazolinyl)butoxy]-4H-1-benzopyran-4-one 在 吡啶 、 盐酸羟胺 作用下， 以 乙醇 为溶剂， 反应 24.0h， 以74.8%的产率得到3-(Diethylamino)-5-[2'-hydroxy-4'-(4-[2'-oxazolinyl]butoxy)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 potassium carbonate 、 zinc(II) chloride 作用下， 以 1,2-二氯乙烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 生成 2-(Diethylamino)-7-[4-(2'-oxazolinyl)butoxy]-4H-1-benzopyran-4-one
  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

文献信息

• Disoxaril-related 3-(diethylamino)-5-phenylisoxazoles
  作者：Mauro Mazzei、Ramona Dondero、Bernardetta Ledda、Francesca Demontis、Laura Vargiu

  DOI：10.1016/s0014-827x(00)00002-1

  日期：2000.2

  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.