tert-butyl (S)-2-[(2,2,2-trifluoroacetamido)methyl]piperidine-1-carboxylate | 475105-34-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: tert-butyl (S)-2-[(2,2,2-trifluoroacetamido)methyl]piperidine-1-carboxylate
• 英文别名: (S)-2-[(2,2,2-trifluoro-ethanoylamino)-methyl]-piperidine-1-carboxylic acid tert butyl ester；(S)-2-[(2,2,2-Trifluoro-ethanoylamino)-methyl]-piperidine-1-carboxylic acid tert butyl ester；tert-butyl (2S)-2-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylate
• CAS: 475105-34-1
• 化学式: C₁₃H₂₁F₃N₂O₃
• 分子量: 310.317
• InChiKey: ZGWVUGOBLJOSHT-VIFPVBQESA-N

物化性质

• 沸点：
  371.3±42.0 °C(Predicted)
• 密度：
  1.188±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  58.6
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  tert-butyl (S)-2-[(2,2,2-trifluoroacetamido)methyl]piperidine-1-carboxylate 在 potassium carbonate 作用下， 以 甲醇 为溶剂， 反应 16.0h， 生成 (S)-1-N-叔丁氧羰基-2-(氨基乙基)哌啶
  参考文献：
  名称：

  [EN] NOVEL COMPOUNDS
  [FR] NOUVEAUX COMPOSES

  摘要：

  这项发明涉及到式（I）的N-芳基磺酰环胺衍生物，以及它们作为促进睡眠的药物。

  公开号：

  WO2004041807A1
• 作为产物：
  描述：

  (S)-1-N-叔丁氧羰基-2-(氨基乙基)哌啶 在 三乙胺 、 三氟乙酸酐 作用下， 生成 tert-butyl (S)-2-[(2,2,2-trifluoroacetamido)methyl]piperidine-1-carboxylate
  参考文献：
  名称：

  WO2023/27032

  摘要：

  公开号：

文献信息

• [EN] N-ARYL ACETYL CYCLIC AMINE DERIVATIVES AS OREXIN ANTAGONISTS<br/>[FR] DERIVES D'AMINE CYCLIQUE N-ARYLE ACETYLE UTILISES COMME ANTAGONISTES DE L'OREXINE
  申请人：GLAXO GROUP LTD

  公开号：WO2004041791A1

  公开（公告）日：2004-05-21

  The present invention provides N-aryl acetyl cyclic amine derivatives which are non-peptide antagonists of human orexin receptors, in particular orexin-1 receptors. In particular, theses compounds are of potential use in the treatment of obesity, including obesity observed in Type 2 (non-insulin-dependent) diabetes patients, and/or sleep disorders. Additionally these compounds are useful in the treatment of stroke, particularly ischemic or haemorrhagic stroke, and/or blocking the emetic response, i.e. useful in the treatment of nausea and vomiting. (I) wherein: Y represents a bond, oxygen, NQ or a group (CH2)n, wherein n represents 1, 2 or 3 m is 0 or 1; X is NR, wherein R is H or (C1-4)alkyl; Q is H or (C1-4)alkyl; Ar1 is aryl, or a mono or bicyclic heteroaryl group containing up to 4 heteroatoms selected from N, O and S; any of which may be optionally substituted; Ar2 represents optionally substituted phenyl, an optionally substituted 5- or 6- membered heterocyclyl group containing up to 4 heteroatoms selected from N, O and S, or an optionally substituted bicyclic aromatic or bicyclic heteroaromatic group containing up to 4 heteroatoms selected from N, O and S; R1 and R2 independently represent hydrogen, optionally substituted amino, optionally substituted (C1-6)alkyl or optionally substituted phenyl; or a pharmaceutically acceptable salt thereof.

  本发明提供了N-芳基乙酰环氨基衍生物，其为人类俄雷克星受体的非肽拮抗剂，特别是俄雷克星-1受体的拮抗剂。具体而言，这些化合物可能用于治疗肥胖症，包括2型（非胰岛素依赖性）糖尿病患者观察到的肥胖症，和/或睡眠障碍。此外，这些化合物在中风治疗中也很有用，特别是缺血性或出血性中风，和/或阻断呕吐反应，即在恶心和呕吐治疗中很有用。其中：Y代表键，氧，NQ或(CH2)n基团，其中n代表1、2或3，m为0或1；X为NR，其中R为H或(C1-4)烷基；Q为H或(C1-4)烷基；Ar1为芳基，或含有最多4个异原子（N、O和S）的单环或双环杂芳基团；任何一个可能是可选择取代的；Ar2代表可选择取代的苯基，一个可选择取代的含有最多4个异原子（N、O和S）的5-或6-成员杂环基团，或一个可选择取代的双环芳香或双环杂芳基团，其中最多含有4个异原子（N、O和S）；R1和R2独立地代表氢，可选择取代的氨基，可选择取代的(C1-6)烷基或可选择取代的苯基；或其药用盐。
• Piperdines for use as orexin receptor antagonists
  申请人：——

  公开号：US20030186964A1

  公开（公告）日：2003-10-02

  Compounds of formula (I) wherein Y represents a group (CH 2 ) n , wherein n represents 0, 1 or 2; R 1 is phenyl, naphthyl, a mono or bicyclic heteroaryl group containing up to 3 heteroatoms selected from N, O and S; or a group NR 3 R 4 wherein one of R 3 and R 4 is hydrogen or optionally substituted (C 1-4 )alkyl and the other is phenyl, naphthyl or a mono or bicyclic heteroaryl group containing up to 3 heteroatoms selected from N, O and S, or R 3 and R 4 together with the N atom to which they are attached form a 5 to 7-membered cyclic amine which has an optionally fused phenyl ring; any of which R 1 groups may be optionally substituted; R 2 represents phenyl or a 5- or 6-membered hereroaryl group containing up to 3 heteroatoms selected from N, O and S, wherein the phenyl or heteroaryl group is substituted by R 5 , and further optional substituents; or R 2 represents an optionally substituted bicyclic aromatic or bicyclic heteroaromatic group containing up to 3 heteroatoms selected from N, O and S; R 5 represents an optionally substituted (C 1-4 )alkoxy, halo, optionally substituted (C 1-6 )alkyl, optionally substituted phenyl, or an optionally substituted 5- or 6-membered heterocyclic ring containing up to 3 heteroatoms selected from N, O and S; or pharmaceutically acceptable salts thereof.

  式(I)的化合物，其中Y代表(CH2)n的基团，其中n代表0、1或2；R1是苯基、萘基、含有最多3个来自N、O和S的杂原子的单环或双环杂芳基基团；或者是NR3R4的基团，其中R3和R4中的一个是氢或者可选取代的(C1-4)烷基，另一个是苯基、萘基或含有最多3个来自N、O和S的杂原子的单环或双环杂芳基基团，或者R3和R4与它们所连接的N原子一起形成一个5-7环的环状胺，该环状胺具有可选的融合苯基环；其中任何一个R1基团都可以是可选的取代基；R2代表苯基或含有最多3个来自N、O和S的杂原子的5-或6-环杂芳基基团，其中苯基或杂芳基基团被R5和其他可选的取代基取代；或者R2代表一个可选的取代的双环芳香基或双环杂芳基基团，其中含有最多3个来自N、O和S的杂原子；R5代表一个可选的取代的(C1-4)烷氧基、卤素、可选的取代的(C1-6)烷基、可选的取代的苯基或含有最多3个来自N、O和S的杂原子的5-或6-环杂环基，或其药学上可接受的盐。
• N-aroyl cyclic amines
  申请人：——

  公开号：US20040143115A1

  公开（公告）日：2004-07-22

  This invention relates to N-aroyl cyclic amine derivatives and their use as orexin antagonists 1 wherein: Y represents a bond, oxygen, or a group (CH 2 ) n , wherein n represents 1, 2 or 3; m represents 1, 2, or 3; p represents ) or 1; X is NR, wherein R is H or (C 1-4 )alkyl; Ar 1 is aryl, or a mono or bicyclic heteroaryl group containing up to 3 heteroatoms selected from N, O and S; any of which may be optionally substituted; A 2 represents phenyl or a 5- or 6-membered heterocyclyl group containing up to 3 heteroatoms selected from N, O and S, wherein the phenyl or heterocyclyl group is substituted by R 1 and further optional substituents; or Ar 2 represents an optionally substituted bicyclic aromatic or bicyclic heteroaromatic group containing up to 3 heteroatoms selected from N, O and S; R 1 represents hydrogen, optionally substituted (C 1-4 )alkoxy, halo, cyano, optionally substituted (C 1-6 )alkyl, optionally substituted phenyl, or an optionally substituted 5- or 6-membered heterocyclyl group containing up to 4 heteroatoms selected from N, O and S; when Ar 1 is aryl p is not 1, or a pharmaceutical acceptable salt thereof.

  本发明涉及N-芳酰基环状胺衍生物及其作为促进睡眠荷尔蒙拮抗剂的用途，其中：Y代表键，氧或(CH2)n基团，其中n代表1、2或3；m代表1、2或3；p代表0或1；X为NR，其中R为H或(C1-4)烷基；Ar1为芳基，或含有最多3个N、O和S杂原子的单环或双环杂芳基基团，其中任何一个可以选择性地被取代；A2代表苯基或含有最多3个N、O和S杂原子的5-或6-成员杂环基团，其中苯基或杂环基团被R1和进一步可选取代基取代；或者Ar2代表一个可选择性取代的双环芳香基或双环杂芳香基团，其中含有最多3个N、O和S杂原子；R1代表氢，可选择性取代的(C1-4)烷氧基，卤素，氰基，可选择性取代的(C1-6)烷基，可选择性取代的苯基，或含有最多4个N、O和S杂原子的可选择性取代的5-或6-成员杂环基团；当Ar1为芳基时，p不为1；或其药学上可接受的盐。
• N-AROYL CYCLIC AMINES
  申请人：BRANCH Clive Leslie

  公开号：US20090029986A1

  公开（公告）日：2009-01-29

  Disclosed are N-aroyl cyclic amine derivatives having the formula: wherein the substituent variables are as defined herein, and their use as pharmaceuticals.

  揭示了具有以下公式的N-芳酰基环状胺衍生物： 其中取代基变量如此定义，并且它们作为药物的用途。
• PIPERIDINES FOR USE AS OREXIN RECEPTOR ANTAGONISTS
  申请人：SMITHKLINE BEECHAM PLC

  公开号：EP1289955B1

  公开（公告）日：2005-04-13