2-(3,5-Dibromo-2-methoxyphenyl)-5-(1-piperidinylmethyl)-1H-pyrrole hydrochloride

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 2-(3,5-Dibromo-2-methoxyphenyl)-5-(1-piperidinylmethyl)-1H-pyrrole hydrochloride
• 英文别名: 1-[[5-(3,5-dibromo-2-methoxyphenyl)-1H-pyrrol-2-yl]methyl]piperidine;hydrochloride
• 化学式: C₁₇H₂₀Br₂N₂O*ClH
• 分子量: 464.628
• InChiKey: PXOAAADCPRJGDY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.62
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  28.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  哌啶 、 2-(3,5-dibromo-2-methoxyphenyl)-1H-pyrrole 、 甲烷二醇 在 聚合甲醛 作用下， 以 乙醇 、 溶剂黄146 为溶剂， 以37%的产率得到2-(3,5-Dibromo-2-methoxyphenyl)-5-(1-piperidinylmethyl)-1H-pyrrole hydrochloride
  参考文献：
  名称：

  5-(2-oxyphenyl)-pyrrole derivatives as dopamine D.sub.3 receptor

  摘要：

  式(I)的化合物，其中R.sup.1代表C.sub.1-4烷基；而R.sup.2、R.sup.3、R.sup.4和R.sup.5分别独立地代表氢、卤素、C.sub.1-4烷基、C.sub.1-4烷氧基、C.sub.1-4烷氧基C.sub.1-4烷基、C.sub.1-4烷基磺酰基、三氟甲基磺酰基；可选择地取代的芳基磺酰基、可选择地取代的杂环芳基磺酰基、可选择地取代的芳基烷基磺酰基、可选择地取代的杂环烷基磺酰基、硝基、氰基、氨基、单烷基或双烷基氨基、三氟甲基、三

  公开号：

  US05523299A1

文献信息

• 5-(2-OXYPHENYL)-PYRROLE DERIVATIVES AS DOPAMINE D3 RECEPTOR ANTAGONISTS
  申请人：SMITHKLINE BEECHAM PLC

  公开号：EP0654023B1

  公开（公告）日：1998-09-16
• US5523299A
  申请人：——

  公开号：US5523299A

  公开（公告）日：1996-06-04
• 5-(2-oxyphenyl)-pyrrole derivatives as dopamine D.sub.3 receptor
  申请人：SmithKline Beecham PLC

  公开号：US05523299A1

  公开（公告）日：1996-06-04

  Compounds of formula (I), ##STR1## wherein R.sup.1 represents C.sub.1-4 alkyl; and R.sup.2, R.sup.3, R.sup.4 and R.sup.5 each independently represent hydrogen, halogen, C.sub.1-4 alkyl, C.sub.1-4 alkoxy, C.sub.1-4 alkoxyC.sub.1-4 alkyl, C.sub.1-4 alkylsulphonyl, trifluoromethylsulphonyl; optionally substituted arylsulphonyl, optionally substituted heteroarylsulphonyl, optionally substituted aralkylsulphonyl, optionally substituted heteroaralkylsulphonyl, nitro, cyano, amino, mono- or di-alkylamino, trifluoromethyl, trifluoromethoxy, hydroxyl, hydroxyalkyl, C.sub.1-4 alkylthio, C.sub.1-4 alkanoyl, C.sub.1-4 alkoxycarbonyl, aminosulphonyl, alkylaminosulphonyl or dialkylaminosulphonyl; or R.sup.1 and R.sup.2 together form a linking chain-(CH.sub.2).sub.m Op (wherein m is 2 to 4 and p is zero or 1) which chain may be optionally substituted by one or two C.sub.1-4 alkyl groups; and Y represents a group selected from (a) or (b) wherein R.sup.6 and R.sup.7 independently represent hydrogen, C.sub.1-6 alkyl, optionally substituted arylC.sub.1-6 alkyl or optionally substituted heteroarylC.sub.1-6 alkyl; R.sup.8 represents C.sub.1-6 alkyl, C.sub.3-6 alkenyl or C.sub.3-6 cycloalkylC.sub.1-4 alkyl; and R.sup.9 represents C.sub.1-6 alkyl; C.sub.3-6 alkenyl; C.sub.3-6 cycloalkylC.sub.1-4 alkyl, optionally substituted arylC.sub.1-4 alkyl or optionally substituted heteroarylC.sub.1-4 alkyl; or NR.sup.8 R.sup.9 forms a heterocyclic ring (with the proviso that NR.sup.8 R.sup.9 is not piperazine); R.sup.10 represents C.sub.1-6 alkyl; C.sub.3-6 alkenyl; C.sub.3-6 cycloalkylC.sub.1-4 alkyl, optionally substituted arylC.sub.1-4 alkyl, or optionally substituted heteroarylC.sub.1-4 alkyl; and n is 1 to 3; and salts thereof, have affinity for dopamine D.sub.3 receptors and may be useful in the treatment of e.g., psychotic disorders.

  式(I)的化合物，其中R.sup.1代表C.sub.1-4烷基；而R.sup.2、R.sup.3、R.sup.4和R.sup.5分别独立地代表氢、卤素、C.sub.1-4烷基、C.sub.1-4烷氧基、C.sub.1-4烷氧基C.sub.1-4烷基、C.sub.1-4烷基磺酰基、三氟甲基磺酰基；可选择地取代的芳基磺酰基、可选择地取代的杂环芳基磺酰基、可选择地取代的芳基烷基磺酰基、可选择地取代的杂环烷基磺酰基、硝基、氰基、氨基、单烷基或双烷基氨基、三氟甲基、三