4-<(2-fluorophenyl)(1-pyrryl)methyl>-1-methyl-4-piperidinol | 79227-47-7

• 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: 4-<(2-fluorophenyl)(1-pyrryl)methyl>-1-methyl-4-piperidinol
• 英文别名: 4-[(o-fluorophenyl)-(1-pyrryl)methyl]-1-methyl-4-piperidinol；4-[(2-fluorophenyl)(1-pyrryl)methyl]-1-methyl-4-piperidinol；4-[(2-Fluorophenyl)-pyrrol-1-ylmethyl]-1-methylpiperidin-4-ol
• CAS: 79227-47-7
• 化学式: C₁₇H₂₁FN₂O
• 分子量: 288.365
• InChiKey: CORRDSCEKYHKBT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  28.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-<(2-fluorophenyl)(1-pyrryl)methyl>-1-methyl-4-piperidinol 在 sodium hydride 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 、 苯 为溶剂， 反应 23.0h， 生成 2,3-dihydro-1'-(ethoxycarbonyl)-3-(1-pyrryl)spiro
  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
• 作为产物：
  描述：

  2-氟苄胺 在 正丁基锂 、 溶剂黄146 作用下， 反应 4.0h， 生成 4-<(2-fluorophenyl)(1-pyrryl)methyl>-1-methyl-4-piperidinol
  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

• EFFLAND, R. C.;DAVIS, L.;KLEIN, J. T.
  作者：EFFLAND, R. C.、DAVIS, L.、KLEIN, J. T.

  DOI：——

  日期：——
• EFFLAND, R. C.;KLEIN, J. T.;DAVIS, L.
  作者：EFFLAND, R. C.、KLEIN, J. T.、DAVIS, L.

  DOI：——

  日期：——
• US4268515A
  申请人：——

  公开号：US4268515A

  公开（公告）日：1981-05-19
• US4321385A
  申请人：——

  公开号：US4321385A

  公开（公告）日：1982-03-23
• US4329464A
  申请人：——

  公开号：US4329464A

  公开（公告）日：1982-05-11