1-(4-Methoxy-3-phenethyloxy-benzyl)-octylamine | 177587-44-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(4-Methoxy-3-phenethyloxy-benzyl)-octylamine
• 英文别名: 1-[4-methoxy-3-(2-phenylethoxy)phenyl]nonan-2-amine
• CAS: 177587-44-9
• 化学式: C₂₄H₃₅NO₂
• 分子量: 369.547
• InChiKey: XLJHMPLBBIWHFJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  27
• 可旋转键数：
  13
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  44.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  溴丙烷 、 1-(4-Methoxy-3-phenethyloxy-benzyl)-octylamine 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 120.0h， 生成 [1-(4-Methoxy-3-phenethyloxy-benzyl)-octyl]-propyl-amine 、 [1-(4-Methoxy-3-phenethyloxy-benzyl)-octyl]-dipropyl-amine
  参考文献：
  名称：

  Synthesis and SAR of 1-Alkyl-2-phenylethylamine Derivatives Designed from N,N-Dipropyl-4-methoxy-3-(2-phenylethoxy)phenylethylamine To Discover σ₁ Ligands

  摘要：

  The synthesis and structure-activity relationships (SAR) of 1-alkyl-2-phenylethylamine derivatives 5-8 designed from N,N-dipropyl-2-[4-methoxy-3-(2-phenylethoxy)phenyl] ethylamine hydrochloride (1, NE-100) are presented. The SAR between compound 1 and 1-alkyl-2-phenylethylamine derivatives suggested that the alkyl group on the 1-position carbon of 2-[4-methoxy-3-(2-phenylethyl)phenyl]ethylamine derivatives played the role of one of the propyl groups on the aminic nitrogen of compound 1. (-)-N-Propyl-1-butyl-2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethylamine hydrochloride ((-)-6d, NE-537) and (-)-N-propyl-1-(3-methybutyl)2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethylamine hydrochloride ((-)-6i, NE-535), typical compounds in this series, have potent and selective ol affinity.

  DOI：

  10.1021/jm990135j
• 作为产物：
  描述：

  Ethyl 2-(diethoxyphosphinyl)-nonanoate 在 palladium on activated charcoal 氢氧化钾 、 叠氮磷酸二苯酯 、 氢气 、 sodium hydride 、 三乙胺 、 三氟乙酸 作用下， 以 乙二醇二甲醚 、 乙醇 、 二氯甲烷 、 苯 为溶剂， 反应 28.0h， 生成 1-(4-Methoxy-3-phenethyloxy-benzyl)-octylamine
  参考文献：
  名称：

  Synthesis and SAR of 1-Alkyl-2-phenylethylamine Derivatives Designed from N,N-Dipropyl-4-methoxy-3-(2-phenylethoxy)phenylethylamine To Discover σ₁ Ligands

  摘要：

  The synthesis and structure-activity relationships (SAR) of 1-alkyl-2-phenylethylamine derivatives 5-8 designed from N,N-dipropyl-2-[4-methoxy-3-(2-phenylethoxy)phenyl] ethylamine hydrochloride (1, NE-100) are presented. The SAR between compound 1 and 1-alkyl-2-phenylethylamine derivatives suggested that the alkyl group on the 1-position carbon of 2-[4-methoxy-3-(2-phenylethyl)phenyl]ethylamine derivatives played the role of one of the propyl groups on the aminic nitrogen of compound 1. (-)-N-Propyl-1-butyl-2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethylamine hydrochloride ((-)-6d, NE-537) and (-)-N-propyl-1-(3-methybutyl)2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethylamine hydrochloride ((-)-6i, NE-535), typical compounds in this series, have potent and selective ol affinity.

  DOI：

  10.1021/jm990135j

文献信息

• Synthesis and SAR of 1-Alkyl-2-phenylethylamine Derivatives Designed from <i>N</i>,<i>N</i>-Dipropyl-4-methoxy-3-(2-phenylethoxy)phenylethylamine To Discover σ₁ Ligands
  作者：Atsuro Nakazato、Toshihito Kumagai、Kohmei Ohta、Shigeyuki Chaki、Shigeru Okuyama、Kazuyuki Tomisawa

  DOI：10.1021/jm990135j

  日期：1999.9.1

  The synthesis and structure-activity relationships (SAR) of 1-alkyl-2-phenylethylamine derivatives 5-8 designed from N,N-dipropyl-2-[4-methoxy-3-(2-phenylethoxy)phenyl] ethylamine hydrochloride (1, NE-100) are presented. The SAR between compound 1 and 1-alkyl-2-phenylethylamine derivatives suggested that the alkyl group on the 1-position carbon of 2-[4-methoxy-3-(2-phenylethyl)phenyl]ethylamine derivatives played the role of one of the propyl groups on the aminic nitrogen of compound 1. (-)-N-Propyl-1-butyl-2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethylamine hydrochloride ((-)-6d, NE-537) and (-)-N-propyl-1-(3-methybutyl)2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethylamine hydrochloride ((-)-6i, NE-535), typical compounds in this series, have potent and selective ol affinity.