ethyl 6-acetyl-7-hydroxy-2-oxo-2H-chromene-4-carboxylate | 1187486-15-2

• 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: ethyl 6-acetyl-7-hydroxy-2-oxo-2H-chromene-4-carboxylate
• 英文别名: Ethyl 6-acetyl-7-hydroxy-2-oxo-2h-chromene-4-carboxylate；ethyl 6-acetyl-7-hydroxy-2-oxochromene-4-carboxylate
• CAS: 1187486-15-2
• 化学式: C₁₄H₁₂O₆
• 分子量: 276.246
• InChiKey: NPTWYQMXOVHASP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  89.9
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2,4-二羟基苯乙酮 、 丁炔二酸二乙酯 在 三苯基膦 作用下， 以 二氯甲烷 为溶剂， 以60%的产率得到ethyl 6-acetyl-5-hydroxy-2-oxo-2H-chromene-4-carboxylate
  参考文献：
  名称：

  A chemoselective and one-pot synthesis of 5-hydroxy and 7-hydroxy coumarin derivatives

  摘要：

  An efficient one-pot reaction of dialkyl acetylenedicarboxylates with 2,4-dihydroxybenzo(or aceto)phenones in the presence of triphenylphosphine produces 5-hydroxy- and 7-hydroxycoumarin derivatives. The novel procedure features short reaction time, fairly good yields, and simple workup.

  DOI：

  10.1007/s00706-008-0078-2

文献信息

• A chemoselective and one-pot synthesis of 5-hydroxy and 7-hydroxy coumarin derivatives
  作者：Robabeh Baharfar、Seyed M. Vahdat、Fatemeh G. Hakimabadi

  DOI：10.1007/s00706-008-0078-2

  日期：2009.5

  An efficient one-pot reaction of dialkyl acetylenedicarboxylates with 2,4-dihydroxybenzo(or aceto)phenones in the presence of triphenylphosphine produces 5-hydroxy- and 7-hydroxycoumarin derivatives. The novel procedure features short reaction time, fairly good yields, and simple workup.