tert-butyl 3-(3,4-dichlorophenyl)-3-hydroxypyrrolidine-1-carboxylate | 390406-53-8

• 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: tert-butyl 3-(3,4-dichlorophenyl)-3-hydroxypyrrolidine-1-carboxylate
• 英文别名: tert-butyl 3-(3,4-dichlorophenyl)-3-hydroxypyrrolidin-1-carboxylate
• CAS: 390406-53-8
• 化学式: C₁₅H₁₉Cl₂NO₃
• 分子量: 332.227
• InChiKey: XHYCITONDXQLBE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  49.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  tert-butyl 3-(3,4-dichlorophenyl)-3-hydroxypyrrolidine-1-carboxylate 在 盐酸 、 三乙胺 作用下， 以 二氯甲烷 、 乙酸乙酯 为溶剂， 生成 3-(3,4-Dichloro-phenyl)-3-hydroxy-pyrrolidine-1-carboxylic acid {4-[(2,2-dimethyl-propionylamino)-methyl]-phenyl}-amide
  参考文献：
  名称：

  Discovery and initial structure–Activity relationships of trisubstituted ureas as thrombin receptor (PAR-1) antagonists

  摘要：

  Thrombin is the most potent agonist of platelet activation, and its effects are predominantly mediated by platelet thrombin receptors. Therefore, antagonists of the thrombin receptor have potential utility for the treatment of thrombotic disorders. Screening of combinatorial libraries revealed 2 to be a potent antagonist of the thrombin receptor. Modifications of this structure produced 11k, which inhibits thrombin receptor stimulated secretion and aggregation of platelets. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00538-8
• 作为产物：
  描述：

  1-Boc-3-羟基吡咯烷 在 正丁基锂 、 pyridine-SO3 complex 、 三乙胺 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 生成 tert-butyl 3-(3,4-dichlorophenyl)-3-hydroxypyrrolidine-1-carboxylate
  参考文献：
  名称：

  Discovery and initial structure–Activity relationships of trisubstituted ureas as thrombin receptor (PAR-1) antagonists

  摘要：

  Thrombin is the most potent agonist of platelet activation, and its effects are predominantly mediated by platelet thrombin receptors. Therefore, antagonists of the thrombin receptor have potential utility for the treatment of thrombotic disorders. Screening of combinatorial libraries revealed 2 to be a potent antagonist of the thrombin receptor. Modifications of this structure produced 11k, which inhibits thrombin receptor stimulated secretion and aggregation of platelets. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00538-8

文献信息

• DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION
  申请人：Sonesson Clas

  公开号：US20100179211A1

  公开（公告）日：2010-07-15

  The present invention relates to the use of compounds which increase extracellular levels of catecholamines, dopamine and norepinephrine, in cerebral cortical areas of the mammalian brain, and more specifically to the use of 3-disubstituted phenyl-1-pyrrolidinols for the treatment of central nervous system disorders.

  本发明涉及利用增加哺乳动物大脑脑皮层区域儿茶酚胺、多巴胺和去甲肾上腺素的细胞外水平的化合物，更具体地涉及利用3-二取代苯基-1-吡咯烷醇治疗中枢神经系统疾病。
• Disubstituted phenylpyrrolidines as modulators of cortical catecholaminergic neurotransmission
  申请人：NSAB, Filial af NeuroSearch Sweden AB, Sverige

  公开号：US08188301B2

  公开（公告）日：2012-05-29

  The present invention relates to the use of compounds which increase extracellular levels of catecholamines, dopamine and norepinephrine, in cerebral cortical areas of the mammalian brain, and more specifically to the use of 3-disubstituted phenyl-1-pyrrolidinols for the treatment of central nervous system disorders.

  本发明涉及使用化合物增加哺乳动物大脑皮层区域内儿茶酚胺、多巴胺和去甲肾上腺素的细胞外水平，更具体地，涉及使用3-二取代苯基-1-吡咯烷醇治疗中枢神经系统疾病。
• WO2008/148799
  申请人：——

  公开号：——

  公开（公告）日：——
• NEW DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION
  申请人：NSAB, Filial af NeuroSearch Sweden AB, Sverige

  公开号：EP2155671A2

  公开（公告）日：2010-02-24
• US8188301B2
  申请人：——

  公开号：US8188301B2

  公开（公告）日：2012-05-29