2,2,-Bis-(β-ethoxycarbonylethyl)-tetralon | 61555-21-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: 2,2,-Bis-(β-ethoxycarbonylethyl)-tetralon
• 英文别名: Diethyl 3,3'-(1-oxo-1,2,3,4-tetrahydronaphthalene-2,2-diyl)dipropanoate；ethyl 3-[2-(3-ethoxy-3-oxopropyl)-1-oxo-3,4-dihydronaphthalen-2-yl]propanoate
• CAS: 61555-21-3
• 化学式: C₂₀H₂₆O₅
• 分子量: 346.423
• InChiKey: VUXNFVWPIZZWDY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  25
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  69.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2,2,-Bis-(β-ethoxycarbonylethyl)-tetralon 在 盐酸 作用下， 以 溶剂黄146 为溶剂， 生成 3-[2-(2-羧乙基)-1-氧代-3,4-二氢萘-2-基]丙酸
  参考文献：
  名称：

  Estrogen potentiating activity of two spiro compounds having approximately similar molecular dimensions to stilbestrol

  摘要：

  Pharmacological investigation of members of a series of synthetic spiro derivatives with similar molecular dimensions to stilbestrol revealed that two compounds, spiro[cyclohexane-1,2'-tetralin]-1,4'-dione and spiro[cyclohexane-1,2'-indan]-1,4'-diol, exhibited a marked ability to potentiate stilbestrol at doses which had no intrinsic estrogenic activity. It is postulated that such compounds may be of use in reducing the side effects associated with estrogen therapy.

  DOI：

  10.1021/jm00212a031
• 作为产物：
  描述：

  3,4-二氢-1(2H)-萘酮 、 丙烯酸乙酯 在 苄基三甲基氢氧化铵 、 对苯二酚 作用下， 以 1,4-二氧六环 为溶剂， 生成 2,2,-Bis-(β-ethoxycarbonylethyl)-tetralon
  参考文献：
  名称：

  Estrogen potentiating activity of two spiro compounds having approximately similar molecular dimensions to stilbestrol

  摘要：

  Pharmacological investigation of members of a series of synthetic spiro derivatives with similar molecular dimensions to stilbestrol revealed that two compounds, spiro[cyclohexane-1,2'-tetralin]-1,4'-dione and spiro[cyclohexane-1,2'-indan]-1,4'-diol, exhibited a marked ability to potentiate stilbestrol at doses which had no intrinsic estrogenic activity. It is postulated that such compounds may be of use in reducing the side effects associated with estrogen therapy.

  DOI：

  10.1021/jm00212a031

文献信息

• Estrogen potentiating activity of two spiro compounds having approximately similar molecular dimensions to stilbestrol
  作者：Neil S. Doggett、David J. Bailey、Tariq Qazi

  DOI：10.1021/jm00212a031

  日期：1977.2

  Pharmacological investigation of members of a series of synthetic spiro derivatives with similar molecular dimensions to stilbestrol revealed that two compounds, spiro[cyclohexane-1,2'-tetralin]-1,4'-dione and spiro[cyclohexane-1,2'-indan]-1,4'-diol, exhibited a marked ability to potentiate stilbestrol at doses which had no intrinsic estrogenic activity. It is postulated that such compounds may be of use in reducing the side effects associated with estrogen therapy.