2-(Tert-butylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-one | 701192-63-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(Tert-butylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-one
• CAS: 701192-63-4
• 化学式: C₁₄H₁₈F₃NO
• 分子量: 273.298
• InChiKey: RBXLVNSTWJKKJH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(Tert-butylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-one 在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 生成 2-tert-Butylamino-1-(3-trifluoromethyl-phenyl)-propan-1-ol
  参考文献：
  名称：

  Synthesis and evaluation of the anticonvulsant activity of a series of 2-amino-1-phenyl-1-propanols derived from the metabolites of the antidepressant bupropion

  摘要：

  A series of 2-amino-1-phenyl-1-propanols that are structurally related to known metabolites of bupropion,1 (Wellbutrin(R)) were synthesized and evaluated as potential anticonvulsants. The (R*,R*)-2-tert-butylamino-1-(3-trifluoromethylphenyl) propanol 20 had an ED(50) of 16.5 +/- 2.8 mg/kg ip in mice in the maximal electroshock screen and was chosen for further evaluation. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0960-894x(96)00577-x
• 作为产物：
  描述：

  间三氟甲基苯腈 在 溴 作用下， 以 乙醇 为溶剂， 生成 2-(Tert-butylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-one
  参考文献：
  名称：

  Synthesis and evaluation of the anticonvulsant activity of a series of 2-amino-1-phenyl-1-propanols derived from the metabolites of the antidepressant bupropion

  摘要：

  A series of 2-amino-1-phenyl-1-propanols that are structurally related to known metabolites of bupropion,1 (Wellbutrin(R)) were synthesized and evaluated as potential anticonvulsants. The (R*,R*)-2-tert-butylamino-1-(3-trifluoromethylphenyl) propanol 20 had an ED(50) of 16.5 +/- 2.8 mg/kg ip in mice in the maximal electroshock screen and was chosen for further evaluation. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0960-894x(96)00577-x