1-(4-fluorophenyl)-4-(3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)butan-1-one | 79227-56-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(4-fluorophenyl)-4-(3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)butan-1-one
• CAS: 79227-56-8
• 化学式: C₂₆H₂₇FN₂O₂
• 分子量: 418.511
• InChiKey: CRXUEYXFQUPLTA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  34.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2,3-dihydro-1'-(ethoxycarbonyl)-3-(1-pyrryl)spiro 在 氢氧化钾 、 potassium carbonate 、 potassium iodide 作用下， 以 丙醇 、 正丁醇 为溶剂， 反应 68.0h， 生成 1-(4-fluorophenyl)-4-(3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)butan-1-one
  参考文献：
  名称：

  2,3-Dihydro-3-(1-pyrryl)spiro[benzofuran-2,4'-piperidine]s and 2,3-dihydro-3-(1-pyrryl)spiro[benzofuran-2,3'-pyrrolidine]s: novel antihypertensive agents

  摘要：

  A series of 2,3-dihydro-3-(1-pyrryl)spiro[benzofuran-2,4'-piperidine]s (IV) and 2,3-dihydro-3-(1-pyrryl)spiro[benzofuran-2,3'-pyrrolidine]s (V) was synthesized and evaluated for cardiovascular activity. The majority of the compounds displayed good antihypertensive activity in the spontaneous hypertensive rat model at 50 mg/kg po. Compounds 5 (2,3-dihydro-1'-methyl-3-(1-pyrryl)spiro[benzofuran-2,4'-piperidine] ) and 12a (2,3-dihydro-1'-ethyl-3-(1-pyrryl)-spiro[benzofuran-2,4'-piperidine] ) were selected for a more detailed cardiovascular evaluation in the renal hypertensive rat and for standard cardiovascular challenges in anesthetized dogs and the sinoaortic-deafferented dog.

  DOI：

  10.1021/jm00364a027

文献信息

• US4268515A
  申请人：——

  公开号：US4268515A

  公开（公告）日：1981-05-19
• 2,3-Dihydro-3-(1-pyrryl)spiro[benzofuran-2,4'-piperidine]s and 2,3-dihydro-3-(1-pyrryl)spiro[benzofuran-2,3'-pyrrolidine]s: novel antihypertensive agents
  作者：Larry Davis、Marc N. Agnew、Richard C. Effland、Joseph T. Klein、Jan M. Kitzen、Mary A. Schwenkler

  DOI：10.1021/jm00364a027

  日期：1983.10

  A series of 2,3-dihydro-3-(1-pyrryl)spiro[benzofuran-2,4'-piperidine]s (IV) and 2,3-dihydro-3-(1-pyrryl)spiro[benzofuran-2,3'-pyrrolidine]s (V) was synthesized and evaluated for cardiovascular activity. The majority of the compounds displayed good antihypertensive activity in the spontaneous hypertensive rat model at 50 mg/kg po. Compounds 5 (2,3-dihydro-1'-methyl-3-(1-pyrryl)spiro[benzofuran-2,4'-piperidine] ) and 12a (2,3-dihydro-1'-ethyl-3-(1-pyrryl)-spiro[benzofuran-2,4'-piperidine] ) were selected for a more detailed cardiovascular evaluation in the renal hypertensive rat and for standard cardiovascular challenges in anesthetized dogs and the sinoaortic-deafferented dog.