2-[(3-Ethoxyphenyl)methyl-methylamino]-1-phenylethanone | 1415240-21-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-[(3-Ethoxyphenyl)methyl-methylamino]-1-phenylethanone
• 英文别名: 2-[(3-ethoxyphenyl)methyl-methylamino]-1-phenylethanone
• CAS: 1415240-21-9
• 化学式: C₁₈H₂₁NO₂
• 分子量: 283.37
• InChiKey: JVECYEHXCLCQJQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  21
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-[(3-Ethoxyphenyl)methyl-methylamino]-1-phenylethanone 在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 反应 1.5h， 生成 2-[(3-Ethoxyphenyl)methyl-methylamino]-1-phenylethanol
  参考文献：
  名称：

  4-Phenyl tetrahydroisoquinolines as dual norepinephrine and dopamine reuptake inhibitors

  摘要：

  Novel 4-phenyl tetrahydroisoquinolines that inhibit both dopamine and norepinephrine transporters were designed and prepared. In this Letter, we describe the synthesis, in vitro activity and associated structure-activity relationships of this series. We also report the ex vivo NET occupancy of a representative compound, 41. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.09.050
• 作为产物：
  描述：

  3-乙氧基苯甲醛 在 sodium tetrahydroborate 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 、 水 为溶剂， 反应 20.83h， 生成 2-[(3-Ethoxyphenyl)methyl-methylamino]-1-phenylethanone
  参考文献：
  名称：

  4-Phenyl tetrahydroisoquinolines as dual norepinephrine and dopamine reuptake inhibitors

  摘要：

  Novel 4-phenyl tetrahydroisoquinolines that inhibit both dopamine and norepinephrine transporters were designed and prepared. In this Letter, we describe the synthesis, in vitro activity and associated structure-activity relationships of this series. We also report the ex vivo NET occupancy of a representative compound, 41. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.09.050