1-[2-[4-[3-(4-甲氧基苯基)-2H-苯并吡喃-2-基]苯氧基]乙基]哌啶 | 157173-60-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 异黄酮类化合物
• 中文名称: 1-[2-[4-[3-(4-甲氧基苯基)-2H-苯并吡喃-2-基]苯氧基]乙基]哌啶
• 英文名称: 2-(4-(2-Piperidinoethoxy)phenyl)-3-(4-methoxyphenyl)-2H-benzopyran
• 英文别名: 1-[2-[4-[3-(4-methoxyphenyl)-2H-chromen-2-yl]phenoxy]ethyl]piperidine
• CAS: 157173-60-9
• 化学式: C₂₉H₃₁NO₃
• 分子量: 441.57
• InChiKey: CLSQFRZGLVXJHC-UHFFFAOYSA-N

物化性质

• 沸点：
  590.3±50.0 °C(Predicted)
• 密度：
  1.146±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  30.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-(2-hydroxyphenyl)-2-(4-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one 在 sodium tetrahydroborate 、 potassium carbonate 作用下， 以 甲醇 、 丙酮 为溶剂， 反应 32.0h， 生成 1-[2-[4-[3-(4-甲氧基苯基)-2H-苯并吡喃-2-基]苯氧基]乙基]哌啶
  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

• [EN] DL-2,3-DIARYL-2H-1-BENZOPYRANS<br/>[FR] DL-2,3-DIARYL-2H-1-BENZOPYRANS
  申请人：NOVO NORDISK A/S

  公开号：WO1999002512A1

  公开（公告）日：1999-01-21

  (EN) The present invention relates to therapeutically active 2,3-diaryl-2H-1-benzopyrans, a method of preparing the same and to pharmaceutical compositions comprising the compounds. The novel compounds are useful in the prevention or treatment of estrogen related diseases or syndromes.(FR) L'invention concerne des 2,3-diaryl-2H-1-benzopyrans thérapeutiquement actifs, un procédé de préparation de ce dernier et des compositions pharmaceutiques renfermant les composés. Les nouveaux composés sont utiles pour la prévention ou le traitement de maladies ou de syndromes liés aux oestrogènes.
• 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.