1-[2-[4-(7-Methoxy-2,2-dimethyl-3-phenylchromen-4-yl)phenoxy]ethyl]piperidine | 196607-02-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 异黄酮类化合物
• 英文名称: 1-[2-[4-(7-Methoxy-2,2-dimethyl-3-phenylchromen-4-yl)phenoxy]ethyl]piperidine
• CAS: 196607-02-0
• 化学式: C₃₁H₃₅NO₃
• 分子量: 469.624
• InChiKey: FHXHQHPKYXZNBB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  35
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  30.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-[2-[4-(7-Methoxy-2,2-dimethyl-3-phenylchromen-4-yl)phenoxy]ethyl]piperidine 在 一水合肼 作用下， 以 二乙二醇 为溶剂， 生成 2,2-Dimethyl-3-phenyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]chromen-7-ol
  参考文献：
  名称：

  Evaluation of piperidinoethoxy moiety as an antiestrogenic substituent in non-steroidal anti-estrogens: Fertility regulation

  摘要：

  A piperidinoethoxy substituent in non-steroidal antiestrogens has a relatively higher antiestrogenic effect as compared to a pyrrolidinoethoxy moiety. However, the antagonistic activity is more depended on the molecular geometry than the nature of the basic chain. No significant difference in the antifertility activity in these two sets of compounds was observed. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00379-x
• 作为产物：
  描述：

  1-(2-氯乙基)哌啶 、 4-(7-甲氧基-2,2-二甲基-3-苯基色烯-4-基)苯酚 在 hydroxide 作用下， 生成 1-[2-[4-(7-Methoxy-2,2-dimethyl-3-phenylchromen-4-yl)phenoxy]ethyl]piperidine
  参考文献：
  名称：

  Evaluation of piperidinoethoxy moiety as an antiestrogenic substituent in non-steroidal anti-estrogens: Fertility regulation

  摘要：

  A piperidinoethoxy substituent in non-steroidal antiestrogens has a relatively higher antiestrogenic effect as compared to a pyrrolidinoethoxy moiety. However, the antagonistic activity is more depended on the molecular geometry than the nature of the basic chain. No significant difference in the antifertility activity in these two sets of compounds was observed. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00379-x