(4-fluorophenyl)-[1-[2-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]ethyl]piperidin-4-yl]methanone | 269061-61-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (4-fluorophenyl)-[1-[2-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]ethyl]piperidin-4-yl]methanone
• CAS: 269061-61-2
• 化学式: C₂₇H₃₅FN₂O₃
• 分子量: 454.585
• InChiKey: UERWEUWPTURXAW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  33
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  42
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (4-fluorophenyl)-[1-[2-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]ethyl]piperidin-4-yl]methanone 在 氢溴酸 作用下， 以 溶剂黄146 为溶剂， 反应 4.0h， 以67%的产率得到
  参考文献：
  名称：

  Substituted 3-amino and/or 3-aminomethyl-3,4-dihydro-2 H -1-benzopyrans: synthesis and biological activity

  摘要：

  A series of new 3-amino, 3-aminomethyl-5-alkoxy-3,4-dihydro-2H-1-benzopyran and 5-alkoxy-3',4'-dihydrospiro[piperazine-2,3'(2'H)-benzopyran] derivatives was prepared and evaluated for affinity at 5-HT1A, 5-HT2A and D-2 receptors. Two of the compounds (1f and 2b) can be considered as potent and selective 5-HT2A ligands. One compound (1g) demonstrated high affinity for 5-HT1A and D-2 receptor binding sites and one compound (1d) proved to be a mixed 5-HT1A/5-HT2A ligand. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(99)00311-9
• 作为产物：
  描述：

  3-(N-propylamino)-5-methoxychroman 在 sodium hydroxide 、 dimethyl sulfide borane 、 potassium carbonate 、 potassium iodide 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.5h， 生成 (4-fluorophenyl)-[1-[2-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]ethyl]piperidin-4-yl]methanone
  参考文献：
  名称：

  Substituted 3-amino and/or 3-aminomethyl-3,4-dihydro-2 H -1-benzopyrans: synthesis and biological activity

  摘要：

  A series of new 3-amino, 3-aminomethyl-5-alkoxy-3,4-dihydro-2H-1-benzopyran and 5-alkoxy-3',4'-dihydrospiro[piperazine-2,3'(2'H)-benzopyran] derivatives was prepared and evaluated for affinity at 5-HT1A, 5-HT2A and D-2 receptors. Two of the compounds (1f and 2b) can be considered as potent and selective 5-HT2A ligands. One compound (1g) demonstrated high affinity for 5-HT1A and D-2 receptor binding sites and one compound (1d) proved to be a mixed 5-HT1A/5-HT2A ligand. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(99)00311-9

文献信息

• Substituted 3-amino and/or 3-aminomethyl-3,4-dihydro-2 H -1-benzopyrans: synthesis and biological activity
  作者：Corinne Comoy、Virginie Guérin、Bruno Pfeiffer、Marie-Claire Rettori、Pierre Renard、Gérald Guillaumet

  DOI：10.1016/s0968-0896(99)00311-9

  日期：2000.3

  A series of new 3-amino, 3-aminomethyl-5-alkoxy-3,4-dihydro-2H-1-benzopyran and 5-alkoxy-3',4'-dihydrospiro[piperazine-2,3'(2'H)-benzopyran] derivatives was prepared and evaluated for affinity at 5-HT1A, 5-HT2A and D-2 receptors. Two of the compounds (1f and 2b) can be considered as potent and selective 5-HT2A ligands. One compound (1g) demonstrated high affinity for 5-HT1A and D-2 receptor binding sites and one compound (1d) proved to be a mixed 5-HT1A/5-HT2A ligand. (C) 2000 Elsevier Science Ltd. All rights reserved.