2--N-n-propylamino>-5-methoxytetralin | 101403-22-9

• 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--N-n-propylamino>-5-methoxytetralin
• 英文别名: 2-{N-[3-(methylsulfonyl)propyl]-N-n-propylamino}-5-methoxytetralin；5-methoxy-N-(3-methylsulfonylpropyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
• CAS: 101403-22-9
• 化学式: C₁₈H₂₉NO₃S
• 分子量: 339.499
• InChiKey: KYFICQFHFWNXOD-UHFFFAOYSA-N

物化性质

• 沸点：
  529.3±50.0 °C(Predicted)
• 密度：
  1.13±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  23.0
• 可旋转键数：
  8.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  46.61
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2--N-n-propylamino>-5-methoxytetralin 在 乙硫醇钠 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 20.0h， 生成 6-[3-Methylsulfonylpropyl(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
• 作为产物：
  描述：

  2-丙氨基-5-甲氧基四嗪 在 氯化亚砜 、 乙醇 、 双氧水 、 sodium 、 溶剂黄146 、 N,N-二异丙基乙胺 作用下， 以 氯仿 、 N,N-二甲基甲酰胺 为溶剂， 反应 63.17h， 生成 2--N-n-propylamino>-5-methoxytetralin
  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