6-[3-Aminopropyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol | 101403-02-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: 6-[3-Aminopropyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
• CAS: 101403-02-5
• 化学式: C₁₆H₂₆N₂O
• 分子量: 262.395
• InChiKey: STZVDNIQZPXBQC-UHFFFAOYSA-N

物化性质

• 沸点：
  419.0±45.0 °C(Predicted)
• 密度：
  1.08±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  49.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  氯甲酸乙酯 、 6-[3-Aminopropyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 39.0h， 生成 ethyl N-[3-[(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]propyl]carbamate
  参考文献：
  名称：

  Structure-activity relationships of dopaminergic 5-hydroxy-2-aminotetralin derivatives with functionalized N-alkyl substituents

  摘要：

  5-Hydroxy-2-aminotetralin derivatives in which one N-alkyl substituent carries a functional group have been prepared and their dopaminergic activities compared with those of 5-hydroxy-2-(di-n-propylamino)tetralin (5-OH-DPAT) and known ergolines. Several members of the series demonstrated high affinities in dopamine (DA) receptor binding and DA agonist properties in the rotational behavior model in the range of known potent ergolines. The results suggest that the accessory binding site for the larger N-alkyl substituent of the 5-hydroxy-2-aminotetralins can accommodate various neutral and bulky functionalities and is probably identical with the site(s) to which the 8-substituents of the ergolines bind.

  DOI：

  10.1021/jm00156a007
• 作为产物：
  描述：

  2--5-methoxytetralin 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 6-[3-Aminopropyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
  参考文献：
  名称：

  Structure-activity relationships of dopaminergic 5-hydroxy-2-aminotetralin derivatives with functionalized N-alkyl substituents

  摘要：

  5-Hydroxy-2-aminotetralin derivatives in which one N-alkyl substituent carries a functional group have been prepared and their dopaminergic activities compared with those of 5-hydroxy-2-(di-n-propylamino)tetralin (5-OH-DPAT) and known ergolines. Several members of the series demonstrated high affinities in dopamine (DA) receptor binding and DA agonist properties in the rotational behavior model in the range of known potent ergolines. The results suggest that the accessory binding site for the larger N-alkyl substituent of the 5-hydroxy-2-aminotetralins can accommodate various neutral and bulky functionalities and is probably identical with the site(s) to which the 8-substituents of the ergolines bind.

  DOI：

  10.1021/jm00156a007