1-(3-甲基-4-硝基-苯基)-吡咯烷 | 218139-59-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 中文名称: 1-(3-甲基-4-硝基-苯基)-吡咯烷
• 英文名称: 1-(3-methyl-4-nitro-phenyl)-pyrrolidine
• 英文别名: 1-(3-Methyl-4-nitro-phenyl)-pyrrolidin；1-(4nitro-3-methylphenyl)pyrrolidine；1-(3-Methyl-4-nitrophenyl)pyrrolidine
• CAS: 218139-59-4
• 化学式: C₁₁H₁₄N₂O₂
• 分子量: 206.244
• InChiKey: UPSPVRUBINSVBS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  49.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(3-甲基-4-硝基-苯基)-吡咯烷 在 乙醇 、 镍 作用下， 生成 2-methyl-4-pyrrolidino-aniline
  参考文献：
  名称：

  Oxidation Processes. XXI.¹ The Autoxidation of the p-Phenylenediamines

  摘要：

  DOI：

  10.1021/ja01186a070
• 作为产物：
  描述：

  四氢吡咯 、 4-碘-2-甲基-1-硝基苯 生成 1-(3-甲基-4-硝基-苯基)-吡咯烷
  参考文献：
  名称：

  Oxidation Processes. XXI.¹ The Autoxidation of the p-Phenylenediamines

  摘要：

  DOI：

  10.1021/ja01186a070

文献信息

• MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS
  申请人：Sheth Urvi

  公开号：US20120309758A1

  公开（公告）日：2012-12-06

  The present invention relates to modulators of ATP-Binding Cassette (“ABC”) transporters or fragments thereof, including Cystic Fibrosis Transmembrane Conductance Regulator, compositions thereof, and methods therewith. The present invention also relates to methods of treating ABC transporter mediated diseases using such modulators.

  本发明涉及调节ATP结合盒（“ABC”）转运蛋白或其片段的调节剂，包括囊性纤维化跨膜传导调节蛋白，以及相关的组合物和方法。本发明还涉及使用这些调节剂治疗ABC转运蛋白介导的疾病的方法。
• [EN] SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF<br/>[FR] CARBOXAMIDES DE N-PHÉNYL-BIPYRROLIDINE SUBSTITUÉS ET LEUR UTILISATION THÉRAPEUTIQUE
  申请人：SANOFI AVENTIS

  公开号：WO2009052065A1

  公开（公告）日：2009-04-23

  The present invention discloses and claims a series of substituted N-phenyl-bipyrrolidine carboxamides of formula (I), Wherein R, R1, R2, R3 and R4 are as described herein. More specifically, the compounds of this invention are modulators of H3 receptors and are, therefore, useful as pharmaceutical agents, especially in the treatment and/or prevention of a variety of diseases modulated by H3 receptors including diseases associated with the central nervous system. Additionally, this invention also discloses methods of preparation of substituted N-phenyl-bipyrrolidine carboxamides and intermediates therefor.

  本发明公开并声明了一系列式(I)的取代N-苯基-双吡咯烷羧酰胺，其中R、R1、R2、R3和R4如本文所述。更具体地说，本发明的化合物是H3受体调节剂，因此在制药方面特别有用，尤其是在治疗和/或预防通过H3受体调节的各种疾病，包括与中枢神经系统相关的疾病。此外，本发明还公开了取代N-苯基-双吡咯烷羧酰胺及其中间体的制备方法。
• [EN] SUBSTITUTED N-PHENYL-BIPYRROLIDINE UREAS AND THERAPEUTIC USE THEREOF<br/>[FR] URÉES DE N-PHÉNYL-BIPYRROLIDINE SUBSTITUÉES ET LEUR UTILISATION THÉRAPEUTIQUE
  申请人：SANOFI AVENTIS

  公开号：WO2009052068A1

  公开（公告）日：2009-04-23

  The present invention discloses and claims a series of substituted N-phenyl-bipyrrolidine ureas of formula (I) as described herein. More specifically, the compounds of this invention are modulators of H3 receptors and are, therefore, useful as pharmaceutical agents, especially in the treatment and/or prevention of a variety of diseases modulated by H3 receptors including diseases associated with the central nervous system. Additionally, this invention also discloses methods of preparation of substituted N-phenyl-bipyrrolidine ureas and intermediates therefor.

  本发明披露并声明一系列取代的N-苯基双吡咯啉脲（式（I）如本文所述）。更具体地说，本发明的化合物是H3受体的调节剂，因此在医药制剂中特别用于治疗和/或预防多种由H3受体调节的疾病，包括与中枢神经系统相关的疾病。此外，本发明还披露了制备取代的N-苯基双吡咯啉脲及其中间体的方法。
• Oxidative hair dye compositions and methods containing
  申请人：——

  公开号：US05851237A1

  公开（公告）日：1998-12-22

  The invention provides compositions and methods for the oxidative coloring of human hair. The compositions of the invention contain as a primary dye intermediate a 1-(4-aminophenyl) pyrrolidine, or a cosmetically acceptable salt thereof. The compositions may also contain at least one other primary intermediate and conventional coupling compounds, in addition to an oxidizing agent and other components typically used in oxidative hair dye preparations. Preferred dye intermediates in the compositions of the invention include 1-(4-aminophenyl) pyrrolidine and 1-(4-amino-3-methylphenyl) pyrrolidine, or cosmetically acceptable salts thereof, which produce intense neutral colors when used in admixture with a suitable coupling agents, such as 3-aminophenol, in conventional hair dye base formulations.

  本发明提供了一种用于氧化染色人类头发的组合物和方法。该发明的组合物包含一种主要的染料中间体1-(4-氨基苯基)吡咯烷或其化妆品可接受的盐。该组合物还可以包含至少一种其他主要中间体和传统的偶联化合物，以及氧化剂和通常用于氧化染发制剂的其他组分。本发明组合物中的优选染料中间体包括1-(4-氨基苯基)吡咯烷和1-(4-氨基-3-甲基苯基)吡咯烷或其化妆品可接受的盐，当与适当的偶联剂（例如3-氨基苯酚）混合在传统的染发基础配方中使用时，可以产生强烈的中性颜色。
• Modulators of ATP-Binding Cassette Transporters
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US20130165442A1

  公开（公告）日：2013-06-27

  The present invention relates to modulators of ATP-Binding Cassette (“ABC”) transporters or fragments thereof, including Cystic Fibrosis Transmembrane Conductance Regulator, compositions thereof, and methods therewith. The present invention also relates to methods of treating ABC transporter mediated diseases using such modulators.

  本发明涉及ATP结合盒（“ABC”）转运蛋白或其片段的调节剂，包括囊性纤维化跨膜电导调节器、其组成物以及使用它们的方法。本发明还涉及使用这种调节剂治疗ABC转运蛋白介导的疾病的方法。