tert-butyl 4-(4-(2,4-dimethoxyphenyl)-2-hydroxy-4-oxobutyl)benzoate | 1083095-05-9

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物
• 英文名称: tert-butyl 4-(4-(2,4-dimethoxyphenyl)-2-hydroxy-4-oxobutyl)benzoate
• 英文别名: Tert-butyl 4-[4-(2,4-dimethoxyphenyl)-2-hydroxy-4-oxobutyl]benzoate
• CAS: 1083095-05-9
• 化学式: C₂₃H₂₈O₆
• 分子量: 400.472
• InChiKey: GFZODKSLSZRVCW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  29
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  82.1
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  Tert-butyl 4-[[3-(2,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzoate 在 水 、 铁粉 、 氯化铵 作用下， 以 乙醇 为溶剂， 反应 6.0h， 以41%的产率得到tert-butyl 4-(4-(2,4-dimethoxyphenyl)-2-hydroxy-4-oxobutyl)benzoate
  参考文献：
  名称：

  Reduction of Δ²-Isoxazolines to β-Hydroxy Ketones with Iron and Ammonium Chloride as Reducing Agent

  摘要：

  A detailed study of a procedure for the selective reduction of Delta(2)-isoxazolines to the corresponding beta-hydroxy ketones is reported. The use of iron and ammonium chloride as the reducing agent in the presence of water results in a facile and chemoselective protocol for the preparation of beta-hydroxy ketones, including the conjugated beta-hydroxy ketones.

  DOI：

  10.1021/jo801831c

文献信息

• Reduction of Δ²-Isoxazolines to β-Hydroxy Ketones with Iron and Ammonium Chloride as Reducing Agent
  作者：Dahong Jiang、Yuanwei Chen

  DOI：10.1021/jo801831c

  日期：2008.11.21

  A detailed study of a procedure for the selective reduction of Delta(2)-isoxazolines to the corresponding beta-hydroxy ketones is reported. The use of iron and ammonium chloride as the reducing agent in the presence of water results in a facile and chemoselective protocol for the preparation of beta-hydroxy ketones, including the conjugated beta-hydroxy ketones.