3-(3-Methanesulfonyl-phenyl)-pyrrolidine | 178483-13-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: 3-(3-Methanesulfonyl-phenyl)-pyrrolidine
• 英文别名: 3-(3-Methanesulfonylphenyl)pyrrolidine；3-(3-methylsulfonylphenyl)pyrrolidine
• CAS: 178483-13-1
• 化学式: C₁₁H₁₅NO₂S
• 分子量: 225.312
• InChiKey: HGUNXXODCCBAQQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  54.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-碘代丙烷 、 3-(3-Methanesulfonyl-phenyl)-pyrrolidine 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 12.0h， 以80%的产率得到3-(3-Methanesulfonyl-phenyl)-1-propyl-pyrrolidine; hydrochloride
  参考文献：
  名称：

  Regioselective synthesis of 3-aryl substituted pyrrolidines via palladium catalyzed arylation: pharmacological evaluation for central dopaminergic and serotonergic activity.

  摘要：

  A series of 3-arylpyrrolidines has been synthesised via palladium catalyzed arylation and evaluated for dopaminergic and serotonergic activity in vitro and in vivo. Compounds substituted by electron withdrawing groups on the meta position of the aromatic ring, were found to be preferential dopamine autoreceptor antagonists. (C) 1997, Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(96)00618-x
• 作为产物：
  描述：

  3-溴苯基甲基砜 在 palladium diacetate 、 palladium on activated charcoal 盐酸 、 甲酸铵 、 N,N-二异丙基乙胺 、 三(邻甲基苯基)磷 、 silver carbonate 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 3-(3-Methanesulfonyl-phenyl)-pyrrolidine
  参考文献：
  名称：

  Regioselective synthesis of 3-aryl substituted pyrrolidines via palladium catalyzed arylation: pharmacological evaluation for central dopaminergic and serotonergic activity.

  摘要：

  A series of 3-arylpyrrolidines has been synthesised via palladium catalyzed arylation and evaluated for dopaminergic and serotonergic activity in vitro and in vivo. Compounds substituted by electron withdrawing groups on the meta position of the aromatic ring, were found to be preferential dopamine autoreceptor antagonists. (C) 1997, Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(96)00618-x

文献信息

• Regioselective synthesis of 3-aryl substituted pyrrolidines via palladium catalyzed arylation: pharmacological evaluation for central dopaminergic and serotonergic activity.
  作者：Clas Sonesson、Håkan Wikström、Martin W Smith、Kjell Svensson、Arvid Carlsson、Nicholas Waters

  DOI：10.1016/s0960-894x(96)00618-x

  日期：1997.2

  A series of 3-arylpyrrolidines has been synthesised via palladium catalyzed arylation and evaluated for dopaminergic and serotonergic activity in vitro and in vivo. Compounds substituted by electron withdrawing groups on the meta position of the aromatic ring, were found to be preferential dopamine autoreceptor antagonists. (C) 1997, Elsevier Science Ltd.