[(3R,4S,5R,6S)-4,5-diacetyloxy-6-[3-(2-methylbenzoyl)phenoxy]oxan-3-yl] acetate | 147029-64-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [(3R,4S,5R,6S)-4,5-diacetyloxy-6-[3-(2-methylbenzoyl)phenoxy]oxan-3-yl] acetate
• CAS: 147029-64-9
• 化学式: C₂₅H₂₆O₉
• 分子量: 470.476
• InChiKey: WRZOBQPPNMURAO-WUEDSLEZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  34
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  114
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  [(3R,4S,5R,6S)-4,5-diacetyloxy-6-[3-(2-methylbenzoyl)phenoxy]oxan-3-yl] acetate 在 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 2.0h， 生成 (2-甲基苯基)(3-(beta-D-吡喃木糖基氧基)苯基)甲酮
  参考文献：
  名称：

  Glycosylated derivatives of benzophenone, benzhydrol and benzhydril as potential venous antithrombotic agents

  摘要：

  A series of glycosylated derivatives of benzophenone, benzhydrol, and benzhydril has been synthesized and evaluated for potential activity as venous antithrombotic agents. Studies on structure-activity relationships revealed that compounds having an electron-withdrawing group in the benzhydril or benzhydrol moiety, and specifically those having the beta-D-xylopyranosyl structure in the sugar moiety, were good antithrombotic agents in a rat model of venous thrombosis.

  DOI：

  10.1021/jm00059a015
• 作为产物：
  描述：

  邻甲基苯甲酰氯 在 氢溴酸 、 magnesium 、 溶剂黄146 、 silver(l) oxide 作用下， 以 乙腈 为溶剂， 反应 0.5h， 生成 [(3R,4S,5R,6S)-4,5-diacetyloxy-6-[3-(2-methylbenzoyl)phenoxy]oxan-3-yl] acetate
  参考文献：
  名称：

  Glycosylated derivatives of benzophenone, benzhydrol and benzhydril as potential venous antithrombotic agents

  摘要：

  A series of glycosylated derivatives of benzophenone, benzhydrol, and benzhydril has been synthesized and evaluated for potential activity as venous antithrombotic agents. Studies on structure-activity relationships revealed that compounds having an electron-withdrawing group in the benzhydril or benzhydrol moiety, and specifically those having the beta-D-xylopyranosyl structure in the sugar moiety, were good antithrombotic agents in a rat model of venous thrombosis.

  DOI：

  10.1021/jm00059a015