(2,2,2-三氟-1-吡咯烷-3-乙基)-氨基甲酸叔丁酯 | 186202-31-3

• 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: (2,2,2-三氟-1-吡咯烷-3-乙基)-氨基甲酸叔丁酯
• 英文名称: tert-butyl (2,2,2-trifluoro-1-(pyrrolidin-3-yl)ethyl)carbamate
• 英文别名: (2,2,2-Trifluoro-1-pyrrolidin-3-YL-ethyl)-carbamic acid tert-butyl ester；tert-butyl N-(2,2,2-trifluoro-1-pyrrolidin-3-ylethyl)carbamate
• CAS: 186202-31-3
• 化学式: C₁₁H₁₉F₃N₂O₂
• 分子量: 268.279
• InChiKey: IKAZWGHCNUXXGK-UHFFFAOYSA-N

物化性质

• 沸点：
  302.0±42.0 °C(Predicted)
• 密度：
  1.158±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  50.4
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  [1-(1-Benzyl-pyrrolidin-3-yl)-2,2,2-trifluoro-ethyl]-carbamic acid tert-butyl ester 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 以100%的产率得到(2,2,2-三氟-1-吡咯烷-3-乙基)-氨基甲酸叔丁酯
  参考文献：
  名称：

  Synthesis and structure-activity relationships of 2-pyridones: II. 8-(Fluoro-substituted pyrrolidinyl)-2-pyridones as antibacterial agents

  摘要：

  The 8-position side chain of 2-pyridones is believed to be involved in the binding with bacterial DNA gyrase to form the ternary complex, making them very important for the activity of 2-pyridones. A series of 2-pyridones having fluoro-substituted amines at the 8-position has been synthesized and their antibacterial activities and pharmacokinetic properties are reported. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00355-2

文献信息

• [EN] COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2<br/>[FR] COMPOSÉS ET COMPOSITIONS POUR L'INHIBITION DE L'ACTIVITÉ DE SHP2
  申请人：NOVARTIS AG

  公开号：WO2017216706A1

  公开（公告）日：2017-12-21

  The present invention relates to compounds of formula I: in which Y1, Y2, R1, R2 and R3 are defined in the Summary of the Invention; capable of inhibiting the activity of SHP2. The invention further provides a process for the preparation of compounds of the invention, pharmaceutical preparations comprising such compounds and methods of using such compounds and compositions in the management of diseases or disorders associated with the aberrant activity of SHP2.

  本发明涉及以下式I的化合物：其中Y1、Y2、R1、R2和R3在发明摘要中有定义；能够抑制SHP2活性。该发明还提供了一种制备该类化合物的方法，包括含有这类化合物的药物制剂以及在管理与SHP2异常活性相关的疾病或疾病的方法中使用这类化合物和组合物。
• COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2
  申请人：NOVARTIS AG

  公开号：EP3468972B1

  公开（公告）日：2020-05-20
• Synthesis and structure-activity relationships of 2-pyridones: II. 8-(Fluoro-substituted pyrrolidinyl)-2-pyridones as antibacterial agents
  作者：Qun Li、Weibo Wang、Kristine B. Berst、Akiyo Claiborne、Lisa Hasvold、Kathleen Raye、Michael Tufano、Angela Nilius、Linus L. Shen、Robert Flamm、Jeff Alder、Kennan Marsh、DeAnne Crowell、Daniel T.W. Chu、Jacob J. Plattner

  DOI：10.1016/s0960-894x(98)00355-2

  日期：1998.8

  The 8-position side chain of 2-pyridones is believed to be involved in the binding with bacterial DNA gyrase to form the ternary complex, making them very important for the activity of 2-pyridones. A series of 2-pyridones having fluoro-substituted amines at the 8-position has been synthesized and their antibacterial activities and pharmacokinetic properties are reported. (C) 1998 Elsevier Science Ltd. All rights reserved.