(1-丙基-3-吡咯烷)甲胺 | 959239-12-4

• 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-丙基-3-吡咯烷)甲胺
• 英文名称: (1-propylpyrrolidin-3-yl)methanamine
• 英文别名: N-propyl-3-pyrrolidinemethanamine；(1-Propyl-3-pyrrolidinyl)methanamine
• CAS: 959239-12-4
• 化学式: C₈H₁₈N₂
• 分子量: 142.244
• InChiKey: IPUBRBQHMVFXEW-UHFFFAOYSA-N

物化性质

• 沸点：
  182.1±8.0 °C(Predicted)
• 密度：
  0.896±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  29.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  (1-丙基-3-吡咯烷)甲胺 、 5-氯-3-乙基-6-甲氧基水杨酰氯 在 三乙胺 作用下， 以 氯仿 为溶剂， 反应 48.0h， 以48%的产率得到3-chloro-5-ethyl-6-hydroxy-2-methoxy-N-((1-propylpyrrolidin-3-yl)methyl)benzamide
  参考文献：
  名称：

  一系列基于艾噻必利的多巴胺 D2/D3 受体双位配体的结构活性关系

  摘要：

  多巴胺 D 3受体 (D 3 R) 与艾可必利复合物的晶体结构启发了双位配体的设计，该设计探索了 (1) 艾可必利吡咯烷环的N-烷基化，(2) 吡咯烷氮位置的移动， (3)吡咯烷环系统的扩展，和(4)在4-位引入O-烷基化。结构活性关系 (SAR) 显示，移动N - 或扩展吡咯烷环不利于 D 2 R/D 3 R 结合亲和力。小吡咯烷N-烷基的耐受性较差，但添加接头和二级药效基团 (SP) 可以改善亲和力。此外，与类似的N-烷基化化合物相比， O-烷基化类似物显示出更高的结合亲和力，例如O-烷基化33 （D 3 R，0.436 nM和D 2 R，1.77 nM）与N-烷基化11 （D 3 R， 6.97 nM 和 D 2 R，25.3 nM）。所有先导分子都是功能性D 2 R/D 3 R 拮抗剂。分子模型证实，4 位修饰对于未来需要长接头和/或空间庞大基团的 D 2 R/D 3 R 生物共轭工具具有良好的耐受性。

  DOI：

  10.1021/acs.jmedchem.1c01353

文献信息

• 7-Substituted-6-fluoro-8-substituted-1,4-dihydro-1-methylamino-4-oxo-3-quinolinecarboxylic acids; 7-substituted-6-fluoro-1,4-dihydro-1-methylamino-4-oxo-3-naphthyridine carboxylic acids; derivatives thereof; and processes for producing the compounds
  申请人：WARNER-LAMBERT COMPANY

  公开号：EP0169710A2

  公开（公告）日：1986-01-29

  Novel 1-amino-naphthyridine- and quinoline-carboxylic acids of formula wherein Z is as antibacterial agents are described as well as methods for their manufacture and formulations comprising the compounds.

  式中的新型 1-氨基萘啶和喹啉羧酸 其中 Z 为 描述了作为抗菌剂的新型 1-氨基萘啶和喹啉羧酸及其制造方法和包含这些化合物的制剂。
• 7-Substituted-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids; 7-substituted-1-cyclopropyl-1,4-dihydro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acids; their derivatives; and a process for preparing the compounds
  申请人：WARNER-LAMBERT COMPANY

  公开号：EP0153163A2

  公开（公告）日：1985-08-28

  Compound of formula where X is CH, CCl, CF, C-OH, CO-alkyl having from one to three carbons, C-NH-alkyl having from one to three carbons, or N; Y is H, F, Cl or Br; R2 is alkyl having from one to four carbon atoms, vinyl, haloalkyl, or hydroxyalkyl having from two to four carbon atoms or cycloalkyl having three to six carbon atoms. Also described are methods for their manufacture, formulation, and use in treating bacterial infections including the description of certain novel intermediates used in the manufac- ture of the compounds. The compounds are useful as antibacterial agents.

  式中 X 为 CH、CCl、CF、C-OH、具有一至三个碳原子的 CO-烷基、具有一至三个碳原子的 C-NH- 烷基或 N；Y 为 H、F、Cl 或 Br；R2 为具有一至四个碳原子的烷基、具有二至四个碳原子的乙烯基、卤代烷基或羟基烷基或具有三至六个碳原子的环烷基。 还描述了其制造、配制和用于治疗细菌感染的方法，包括描述了用于制造这些化合物的某些新型中间体。 这些化合物可用作抗菌剂。
• Substituted-9-fluoro-3-methyl-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de][1,4]benzoxazine-6-carboxylic acids; substituted-5-amino-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acids; substituted-5-amino-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acids; derivatives thereof; pharmaceutical compositions comprising the compounds; and processes for producing the compounds
  申请人：WARNER-LAMBERT COMPANY

  公开号：EP0172651A1

  公开（公告）日：1986-02-26

  Novel naphthyridine-, quinoline- and benzoxazine carboxylic acids of formula or as antibacterial agents are described as well as methods for their manufacture and formulation. Also disclosed are certain novel intermediates used in the manufacture of the antibacterial agents.

  描述了新颖的式或作为抗菌剂的萘啶、喹啉和苯并噁嗪羧酸及其制造和配制方法。 此外，还公开了用于制造抗菌剂的某些新型中间体。
• -9-fluoro-6,7-dihydro-5-methyl-1-oxo-8-substituted-1H,5H, benzo(ij)-quinoziline-2-carboxylic acids; their derivatives; and processes for producing the compounds
  申请人：WARNER-LAMBERT COMPANY

  公开号：EP0174077A1

  公开（公告）日：1986-03-12

  Novel 10-amino-9-fluoro- and 9-fluoro-6, 7-dihydro-5-methyhl-oxo-8-(heterocycle1)1H,5H-benzo(ij) quinoziline-2-carboxylic acids of formula as antibacterial agents are described as well as methods for their manufacture and fomulations. wherein Z is

  描述了作为抗菌剂的新型 10-氨基-9-氟-和 9-氟-6，7-二氢-5-甲基-氧代-8-(杂环1)1H，5H-苯并(ij)喹嗪-2-羧酸，以及它们的制造和制剂方法。 其中 Z 是
• Substituted-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acids, derivatives thereof, pharmaceutical compositions comprising the compounds, and processes for producing the compounds
  申请人：WARNER-LAMBERT COMPANY

  公开号：EP0265230A1

  公开（公告）日：1988-04-27

  Novel naphthyridine-, quinoline- and benzoxazinecarboxylic acids of formula in which Z is are disclosed. The compounds are useful as antibacterial agents. Also disclosed is a process for producing the compounds and a pharmaceutical composition comprising the compounds.

  新颖的萘啶、喹啉和苯并噁嗪羧酸，其式为 其中 Z 为 的新型萘啶-喹啉-和苯并噁嗪羧酸。这些化合物可用作抗菌剂。还公开了生产这些化合物的工艺和包含这些化合物的药物组合物。