4-(amino)benzyl 4-methylcoumarin-7-ylcarbamate TFA salt | 1242954-96-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 4-(amino)benzyl 4-methylcoumarin-7-ylcarbamate TFA salt
• CAS: 1242954-96-6
• 化学式: C₂HF₃O₂*C₁₈H₁₆N₂O₄
• 分子量: 438.36
• InChiKey: LTNUPNHWUUUASF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.07
• 重原子数：
  31.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  131.86
• 氢给体数：
  3.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  4-(tert-butoxycarbonylamino)benzyl 4-methylcoumarin-7-ylcarbamate 、 三氟乙酸 以 二氯甲烷 为溶剂， 反应 0.58h， 以98%的产率得到4-(amino)benzyl 4-methylcoumarin-7-ylcarbamate TFA salt
  参考文献：
  名称：

  Schiff bases derived from p-aminobenzyl alcohol as trigger groups for pH-dependent prodrug activation

  摘要：

  A number of novel acid-sensitive Schiff bases derived horn p-aminobenzyl alcohol and various benzaldehyde derivatives were synthesized and were subsequently shown to trigger benzyl elimination reactions The kinetics of acid-catalyzed hydiolysis at pH 50 as well as stability at pH 74 were studied using fluorogenic model compounds Two fluoro-substituted Schiff bases showed efficient hydrolysis at pH 5 0 combined with a long-term stability at pH 74 and are considered suitable candidates for the development of anticancer prodrugs (c) 2010 Elsevier Ltd All lights reserved

  DOI：

  10.1016/j.tetlet.2010.06.055