tert-butyl 6-acetyl-5-hydroxy-2-oxo-2H-chromene-4-carboxylate | 1187486-12-9

• 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: tert-butyl 6-acetyl-5-hydroxy-2-oxo-2H-chromene-4-carboxylate
• 英文别名: t-Butyl 6-acetyl-5-hydroxy-2-oxo-2h-chromene-4-carboxylate；tert-butyl 6-acetyl-5-hydroxy-2-oxochromene-4-carboxylate
• CAS: 1187486-12-9
• 化学式: C₁₆H₁₆O₆
• 分子量: 304.299
• InChiKey: LXTCDJRBCUEMPQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 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 、 丁炔二酸二叔丁酯 乙炔二羧酸二叔丁酯 在 三苯基膦 作用下， 以 二氯甲烷 为溶剂， 以15%的产率得到tert-butyl 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.