2-[Benzyl(methyl)amino]-1-(3-fluoro-4-methylphenyl)ethanone | 1415240-25-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-[Benzyl(methyl)amino]-1-(3-fluoro-4-methylphenyl)ethanone
• 英文别名: 2-[benzyl(methyl)amino]-1-(3-fluoro-4-methylphenyl)ethanone
• CAS: 1415240-25-3
• 化学式: C₁₇H₁₈FNO
• 分子量: 271.334
• InChiKey: BWUQOCNJYSEGMR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-[Benzyl(methyl)amino]-1-(3-fluoro-4-methylphenyl)ethanone 在 sodium tetrahydroborate 、 硫酸 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 1.83h， 生成 4-(3-fluoro-4-methylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline
  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：

  苯亚甲基甲胺 在 sodium tetrahydroborate 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 、 水 为溶剂， 反应 20.5h， 生成 2-[Benzyl(methyl)amino]-1-(3-fluoro-4-methylphenyl)ethanone
  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

文献信息

• 4-Phenyl tetrahydroisoquinolines as dual norepinephrine and dopamine reuptake inhibitors
  作者：Anthony D. Pechulis、James P. Beck、Matt A. Curry、Mark A. Wolf、Arthur E. Harms、Ning Xi、Chet Opalka、Mark P. Sweet、Zhicai Yang、A. Samuel Vellekoop、Andrew M. Klos、Peter J. Crocker、Carla Hassler、Mia Laws、Douglas B. Kitchen、Mark A. Smith、Richard E. Olson、Shuang Liu、Bruce F. Molino

  DOI：10.1016/j.bmcl.2012.09.050

  日期：2012.12

  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.