2-[[(3-Fluorophenyl)methyl]methylamino]-1-phenylethanone | 339001-29-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-[[(3-Fluorophenyl)methyl]methylamino]-1-phenylethanone
• 英文别名: 2-[(3-fluorophenyl)methyl-methylamino]-1-phenylethanone
• CAS: 339001-29-5
• 化学式: C₁₆H₁₆FNO
• mdl: MFCD15481232
• 分子量: 257.308
• InChiKey: HBECEBCXYOCMCQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.187
• 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-[[(3-Fluorophenyl)methyl]methylamino]-1-phenylethanone 在 sodium tetrahydroborate 、 硫酸 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 1.83h， 生成 5-fluoro-2-methyl-4-phenyl-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：

  3-氟苯甲醛 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-Fluorophenyl)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

文献信息

• 4-Phenyl substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine and serotonin
  申请人：Molino F. Bruce

  公开号：US20060111393A1

  公开（公告）日：2006-05-25

  The present invention relates to a method of treating disorders by administering a compound of the formulae IA-IF. These compounds are tetrahydroisoquinolines of the following structure: wherein R 1 -R 8 for compounds of each of the formulae IA, IB, IC, ID, IE and IF are as described herein.

  本发明涉及通过给予式IA-IF的化合物治疗疾病的方法。这些化合物是以下结构的四氢异喹啉：其中对于式IA、IB、IC、ID、IE和IF的化合物，R1-R8如本文所述。