<(3-chloro-1,2-benzisoxazol-7-yl)oxy>-acetic acid, ethyl ester | 155645-25-3

• 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: <(3-chloro-1,2-benzisoxazol-7-yl)oxy>-acetic acid, ethyl ester
• 英文别名: Ethyl 2-[(3-chloro-1,2-benzoxazol-7-yl)oxy]acetate
• CAS: 155645-25-3
• 化学式: C₁₁H₁₀ClNO₄
• 分子量: 255.658
• InChiKey: FISJMLRRHBHXQL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  61.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  <(3-chloro-1,2-benzisoxazol-7-yl)oxy>-acetic acid, ethyl ester 在 sodium hydride 、 sodium carbonate 作用下， 以 乙醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 26.0h， 生成 <<3-(1-imidazolyl)-1,2-benzisoxazol-7-yl>oxy>-acetic acid
  参考文献：
  名称：

  Synthesis and inhibitory effects on platelet aggregation of 3-(2-thienyl)- and 3-(1-imidazolyl)-1,2-benzisoxazole derivatives

  摘要：

  A series of 3-(2-thienyl)- and 3-(1-imidazolyl)-1,2-benzisoxazoles as well as some isomeric benzoxazoles were synthesized and tested in vitro for their inhibitory effect on arachidonic acid-induced human platelet aggregation. The most active compound (7-methoxy-3-(2-thienyl)-1,2-benzisoxazole 5c) was nearly 20-30-fold more potent than acetylsalicylic acid in inhibiting platelet aggregation. Structure-activity relationships within the series are briefly discussed.

  DOI：

  10.1016/0223-5234(94)90129-5
• 作为产物：
  描述：

  3-chloro-7-methoxy-1,2-benzisoxazole 在 三溴化硼 、 potassium carbonate 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 20.0h， 生成 <(3-chloro-1,2-benzisoxazol-7-yl)oxy>-acetic acid, ethyl ester
  参考文献：
  名称：

  Synthesis and inhibitory effects on platelet aggregation of 3-(2-thienyl)- and 3-(1-imidazolyl)-1,2-benzisoxazole derivatives

  摘要：

  A series of 3-(2-thienyl)- and 3-(1-imidazolyl)-1,2-benzisoxazoles as well as some isomeric benzoxazoles were synthesized and tested in vitro for their inhibitory effect on arachidonic acid-induced human platelet aggregation. The most active compound (7-methoxy-3-(2-thienyl)-1,2-benzisoxazole 5c) was nearly 20-30-fold more potent than acetylsalicylic acid in inhibiting platelet aggregation. Structure-activity relationships within the series are briefly discussed.

  DOI：

  10.1016/0223-5234(94)90129-5

文献信息

• Synthesis and inhibitory effects on platelet aggregation of 3-(2-thienyl)- and 3-(1-imidazolyl)-1,2-benzisoxazole derivatives
  作者：A Nuhrich、M Varache-Lembège、P Renard、G Devaux

  DOI：10.1016/0223-5234(94)90129-5

  日期：1994.1

  A series of 3-(2-thienyl)- and 3-(1-imidazolyl)-1,2-benzisoxazoles as well as some isomeric benzoxazoles were synthesized and tested in vitro for their inhibitory effect on arachidonic acid-induced human platelet aggregation. The most active compound (7-methoxy-3-(2-thienyl)-1,2-benzisoxazole 5c) was nearly 20-30-fold more potent than acetylsalicylic acid in inhibiting platelet aggregation. Structure-activity relationships within the series are briefly discussed.