1-(2-hydroxyphenyl)-2-(4-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one | 1027428-82-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 1-(2-hydroxyphenyl)-2-(4-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
• 英文别名: (E)-1-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)-2-(4-methoxyphenyl)prop-2-en-1-one
• CAS: 1027428-82-5
• 化学式: C₂₂H₁₈O₄
• 分子量: 346.383
• InChiKey: QTBSWVCGSIADRP-XSFVSMFZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(2-hydroxyphenyl)-2-(4-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 8.0h， 以2.1 g的产率得到2-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-2H-1-benzopyran
  参考文献：
  名称：

  Synthesis and post-coital contraceptive activity of a new series of substituted 2,3-diaryl-2H-1-benzopyrans

  摘要：

  A series of substituted 2,3-diaryl-2H-1-benzopyrans have been synthesized and screened for their post-coital contraceptive activity in rats. Most of the compounds showed 100% inhibition in a single day schedule at a dose level of 1.0 mg/kg. Compound 32 was found to be the most active with a minimum effective dose (MED) of 0.2 mg/kg in single day testing. Further, it also showed high antiestrogenic activity and is devoid of any agonistic activity.

  DOI：

  10.1016/s0223-5234(97)87540-x
• 作为产物：
  描述：

  1-(2-hydroxyphenyl)-2-(4-methoxyphenyl)ethanone 、 对羟基苯甲醛 在 哌啶 作用下， 以 苯 为溶剂， 反应 30.0h， 以1.8 g的产率得到2-(4-Hydroxy-phenyl)-3-(4-methoxy-phenyl)-chroman-4-one
  参考文献：
  名称：

  Synthesis and post-coital contraceptive activity of a new series of substituted 2,3-diaryl-2H-1-benzopyrans

  摘要：

  A series of substituted 2,3-diaryl-2H-1-benzopyrans have been synthesized and screened for their post-coital contraceptive activity in rats. Most of the compounds showed 100% inhibition in a single day schedule at a dose level of 1.0 mg/kg. Compound 32 was found to be the most active with a minimum effective dose (MED) of 0.2 mg/kg in single day testing. Further, it also showed high antiestrogenic activity and is devoid of any agonistic activity.

  DOI：

  10.1016/s0223-5234(97)87540-x

文献信息

• Synthesis and post-coital contraceptive activity of a new series of substituted 2,3-diaryl-2H-1-benzopyrans
  作者：K Hajela、RS Kapil

  DOI：10.1016/s0223-5234(97)87540-x

  日期：1997.1

  A series of substituted 2,3-diaryl-2H-1-benzopyrans have been synthesized and screened for their post-coital contraceptive activity in rats. Most of the compounds showed 100% inhibition in a single day schedule at a dose level of 1.0 mg/kg. Compound 32 was found to be the most active with a minimum effective dose (MED) of 0.2 mg/kg in single day testing. Further, it also showed high antiestrogenic activity and is devoid of any agonistic activity.