2-[3-(4-benzyloxy-phenyl)-isoxazol-5-ylmethyl]-acrylic acid ethyl ester | 713137-98-5

• 英文名称: 2-[3-(4-benzyloxy-phenyl)-isoxazol-5-ylmethyl]-acrylic acid ethyl ester
• CAS: 713137-98-5
• 化学式: C₂₂H₂₁NO₄
• 分子量: 363.413
• InChiKey: XHSCWQNJIHNTQF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.58
• 重原子数：
  27.0
• 可旋转键数：
  8.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  61.56
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  N-甲基哌嗪 、 2-[3-(4-benzyloxy-phenyl)-isoxazol-5-ylmethyl]-acrylic acid ethyl ester 以 甲醇 为溶剂， 以68%的产率得到
  参考文献：
  名称：

  Baylis–Hillman reaction assisted parallel synthesis of 3,5-disubstituted isoxazoles and their in vivo bioevaluation as antithrombotic agents

  摘要：

  The solution-phase parallel synthesis involving reactions of Baylis-Hillman products of 3-substituted -5-isoxazolecarb-aldehydes with nucleophiles and their in vivo antithrombotic evaluations are described along with the results of in vitro platelet aggregation inhibition assay of a few compounds. Results of the detailed evaluation of one of the compounds as an inhibitor of platelet aggregation are also presented. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2004.02.023
• 作为产物：
  描述：

  Ethyl 2-[acetyloxy-[3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]methyl]prop-2-enoate 在 三乙烯二胺 、 sodium tetrahydroborate 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 0.5h， 以99%的产率得到2-[3-(4-benzyloxy-phenyl)-isoxazol-5-ylmethyl]-acrylic acid ethyl ester
  参考文献：
  名称：

  Baylis–Hillman reaction assisted parallel synthesis of 3,5-disubstituted isoxazoles and their in vivo bioevaluation as antithrombotic agents

  摘要：

  The solution-phase parallel synthesis involving reactions of Baylis-Hillman products of 3-substituted -5-isoxazolecarb-aldehydes with nucleophiles and their in vivo antithrombotic evaluations are described along with the results of in vitro platelet aggregation inhibition assay of a few compounds. Results of the detailed evaluation of one of the compounds as an inhibitor of platelet aggregation are also presented. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2004.02.023