ethyl 2-amino-4-(4-fluorophenyl)-5-oxo-4,5,6,7-tetrahydrocyclopenta[b]pyran-3-carboxylate | 1266549-96-5

• 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: ethyl 2-amino-4-(4-fluorophenyl)-5-oxo-4,5,6,7-tetrahydrocyclopenta[b]pyran-3-carboxylate
• CAS: 1266549-96-5
• 化学式: C₁₇H₁₆FNO₄
• 分子量: 317.317
• InChiKey: XJWOOGOZXACBPL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.29
• 重原子数：
  23.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  78.62
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  1,3-环戊二酮 、 α-氰基-4-氟肉桂酸乙酯 反应 5.5h， 生成 ethyl 2-amino-4-(4-fluorophenyl)-5-oxo-4,5,6,7-tetrahydrocyclopenta[b]pyran-3-carboxylate
  参考文献：
  名称：

  Design and an efficient synthesis of natural product-based cyclopenta[b]pyran derivatives with potential bioactivity

  摘要：

  A series of 4-aryl-cyclopenta[b]pyran derivatives, designed based on natural product scaffold, were synthesized efficiently via multi-component reaction under solvent-free and catalyst-free conditions. This chemistry provides a new compound library with potential activity for biomedical screening. (C) 2010 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2010.09.076