3-hydroxy-1-(4-methoxyphenyl)-4-phenylbutan-1-one | 1083095-02-6

• 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: 3-hydroxy-1-(4-methoxyphenyl)-4-phenylbutan-1-one
• CAS: 1083095-02-6
• 化学式: C₁₇H₁₈O₃
• 分子量: 270.328
• InChiKey: PQTHNJKIQGCCKA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  5-苄基-3-(4-甲氧基苯基)-2-异恶唑啉 在 水 、 铁粉 、 氯化铵 作用下， 以 乙醇 为溶剂， 反应 6.0h， 以58%的产率得到3-hydroxy-1-(4-methoxyphenyl)-4-phenylbutan-1-one
  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

• NOVEL BETA-HYDROXYKETONES AND BETA-ALKOXYKETONES WITH ESTROGENIC ACTIVITY
  申请人：Pulkkinen Juha

  公开号：US20100249243A1

  公开（公告）日：2010-09-30

  This invention relates to β-hydroxyketones and β-alkoxyketones of formula (I), to their use as estrogen receptor modulators, and to methods for their preparation.
• [EN] NOVEL BETA-HYDROXYKETONES AND BETA-ALKOXYKETONES WITH ESTROGENIC ACTIVITY<br/>[FR] NOUVELLES BÊTA-HYDROXYCÉTONES ET BÊTA-ALCOXYCÉTONES PRÉSENTANT UNE ACTIVITÉ OESTROGÉNIQUE
  申请人：PULKKINEN JUHA

  公开号：WO2009066008A1

  公开（公告）日：2009-05-28

  This invention relates to β-hydroxyketones and β-alkoxyketones of formula (I), to their use as estrogen receptor modulators, and to methods for their preparation.
• 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.