3-(anthracene-9-yl)-4,5-dihydroisoxazole-5-carboxylic acid ethyl ester | 919512-95-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 3-(anthracene-9-yl)-4,5-dihydroisoxazole-5-carboxylic acid ethyl ester
• 英文别名: Ethyl 3-(anthracen-9-YL)-4,5-dihydro-1,2-oxazole-5-carboxylate；ethyl 3-anthracen-9-yl-4,5-dihydro-1,2-oxazole-5-carboxylate
• CAS: 919512-95-1
• 化学式: C₂₀H₁₇NO₃
• 分子量: 319.36
• InChiKey: LNIDXRDFSKRWSB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  47.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  蒽-9-甲醛肟 、 丙烯酸乙酯 在 chloroamine-T 作用下， 以 乙醇 为溶剂， 反应 10.0h， 以65%的产率得到3-(anthracene-9-yl)-4,5-dihydroisoxazole-5-carboxylic acid ethyl ester
  参考文献：
  名称：

  Δ2-ISOXAZOLINE DERIVATIVES AS ANTIMICROBIALS

  摘要：

  DOI：

  10.1515/hc.2006.12.1.35

文献信息

• [EN] OXAZA HETEROCYCLIC COMPOUNDS FOR PHOTOTHERAPY<br/>[FR] COMPOSÉS OXAZA HÉTÉROCYCLIQUES POUR PHOTOTHÉRAPIE
  申请人：MALLINCKRODT INC

  公开号：WO2010132547A2

  公开（公告）日：2010-11-18

  The invention relates generally to optical agents, including phototherapeutic agents, for biomedical applications, including phototherapy. The invention includes optical agents, and related therapeutic methods, comprising oxaza compounds, including 1,2 oxaza heterocyclic compounds, having a photolabile N-O bond directly or indirectly linked to at least one carbocyclic aromatic and/or heterocyclic aromatic group. In some embodiments, for example, the invention provides oxaza compounds, such as oxazolines and isoxazolidines, for phototherapeutic methods having a photolabile N-O bond that undergoes photoactivated cleavage to produce reactive species, such as radicals, ions, etc., that achieve a desired therapeutic effect, such as selective and/or localized tissue damage and/or cell death.
• Δ2-ISOXAZOLINE DERIVATIVES AS ANTIMICROBIALS
  作者：B.S. Priya、Basappa、K. S. Rangappa

  DOI：10.1515/hc.2006.12.1.35

  日期：2006.1