N,N-diethyl 4-bromo-2-(trifluoromethy)benzamide | 1809158-04-0

• 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: N,N-diethyl 4-bromo-2-(trifluoromethy)benzamide
• 英文别名: 4-bromo-N,N-diethyl-2-(trifluoromethyl)benzamide
• CAS: 1809158-04-0
• 化学式: C₁₂H₁₃BrF₃NO
• mdl: MFCD27756668
• 分子量: 324.141
• InChiKey: HQDJUUYXPROABQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.416
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N,N-diethyl 4-bromo-2-(trifluoromethy)benzamide 在 盐酸 、 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 四甲基乙二胺 、 仲丁基锂 作用下， 以 四氢呋喃 、 水 为溶剂， 生成 (+/-)-5-ethyl-3-hydroxy-7-(trifluoromethyl)isobenzofuran-1-(3H)-one
  参考文献：
  名称：

  Synthesis and SAR of 2,3,3a,4-tetrahydro-1H-pyrrolo[3,4-c]isoquinolin-5(9bH)-ones as 5-HT2C receptor agonists

  摘要：

  A series of 2,3,3a,4-tetrahydro-1H-pyrrolo[3,4-c]isoquinolin-5(9bH)-ones is described, several examples of which exhibit potent 5-HT2C agonism with excellent selectivity over the closely related 5-HT2A and 5-HT2B receptors. Compounds such as 38 and 44 were shown to be effective in reducing food intake in an acute rat feeding model. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.10.091
• 作为产物：
  描述：

  4-溴-2-三氟甲基苯甲酸 在 草酰氯 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 为溶剂， 生成 N,N-diethyl 4-bromo-2-(trifluoromethy)benzamide
  参考文献：
  名称：

  Synthesis and SAR of 2,3,3a,4-tetrahydro-1H-pyrrolo[3,4-c]isoquinolin-5(9bH)-ones as 5-HT2C receptor agonists

  摘要：

  A series of 2,3,3a,4-tetrahydro-1H-pyrrolo[3,4-c]isoquinolin-5(9bH)-ones is described, several examples of which exhibit potent 5-HT2C agonism with excellent selectivity over the closely related 5-HT2A and 5-HT2B receptors. Compounds such as 38 and 44 were shown to be effective in reducing food intake in an acute rat feeding model. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.10.091

文献信息

• Synthesis and SAR of 2,3,3a,4-tetrahydro-1H-pyrrolo[3,4-c]isoquinolin-5(9bH)-ones as 5-HT2C receptor agonists
  作者：John M. Fevig、Jianxin Feng、Karen A. Rossi、Keith J. Miller、Ginger Wu、Chen-Pin Hung、Thao Ung、Sarah E. Malmstrom、Ge Zhang、William J. Keim、Mary Jane Cullen、Kenneth W. Rohrbach、Qinling Qu、Jinping Gan、Mary Ann Pelleymounter、Jeffrey A. Robl

  DOI：10.1016/j.bmcl.2012.10.091

  日期：2013.1

  A series of 2,3,3a,4-tetrahydro-1H-pyrrolo[3,4-c]isoquinolin-5(9bH)-ones is described, several examples of which exhibit potent 5-HT2C agonism with excellent selectivity over the closely related 5-HT2A and 5-HT2B receptors. Compounds such as 38 and 44 were shown to be effective in reducing food intake in an acute rat feeding model. (C) 2012 Elsevier Ltd. All rights reserved.