tert-Butyl 4-(3,4-dichlorophenoxy)-1-piperidinecarboxylate | 260441-48-3

• 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 4-(3,4-dichlorophenoxy)-1-piperidinecarboxylate
• 英文别名: 1-tert-butoxycarbonyl-4-(3,4-dichloro-phenoxy)-piperidine；4-(3,4-dichlorophenoxy)-N-Boc-piperidine；tert-butyl 4-(3,4-dichlorophenoxy)piperidine-1-carboxylate
• CAS: 260441-48-3
• 化学式: C₁₆H₂₁Cl₂NO₃
• 分子量: 346.254
• InChiKey: FKRKGPPELQBYCJ-UHFFFAOYSA-N

物化性质

• 沸点：
  430.3±45.0 °C(Predicted)
• 密度：
  1.245±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  38.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  tert-Butyl 4-(3,4-dichlorophenoxy)-1-piperidinecarboxylate 在 三乙酰氧基硼氢化钠 、 溶剂黄146 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 50.0h， 生成 4-(3,4-dichloro-phenoxy)-[1,4']bipiperidine
  参考文献：
  名称：

  The discovery of CCR3/H1 dual antagonists with reduced hERG risk

  摘要：

  A series of dual CCR3/H-1 antagonists based on a bispiperidine scaffold were discovered. Introduction of an acidic group overcame hERG liability. Bioavailability was optimised by modulation of physico-chemical properties and physical form to deliver a compound suitable for clinical evaluation. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.08.124
• 作为产物：
  描述：

  3,4-二氯苯酚 、 N-Boc-4-羟基哌啶 在 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 甲苯 为溶剂， 反应 1.5h， 生成 tert-Butyl 4-(3,4-dichlorophenoxy)-1-piperidinecarboxylate
  参考文献：
  名称：

  Arylpiperazines and their use as metalloproteinase inhibiting agents (MMP)

  摘要：

  式(I)的芳基哌嗪可作为金属蛋白酶抑制剂，特别是作为MMP 13的抑制剂。

  公开号：

  US06734184B1

文献信息

• Chemical compounds
  申请人：——

  公开号：US20020077337A1

  公开（公告）日：2002-06-20

  The present invention provides a compound of a formula (I): 1 wherein the variables are defined herein; to a process for preparing such a compound; and to the use of such a compound in the treatment of a chemokine (such as CCR3) or H1 mediated disease state.

  本发明提供了一个式(I)的化合物： 1 其中变量在此处定义；用于制备这种化合物的方法；以及在治疗化学因子（如CCR3）或H1介导的疾病状态中使用这种化合物。
• Compounds
  申请人：AstraZeneca AB

  公开号：US06518286B1

  公开（公告）日：2003-02-11

  The invention provides compounds of general formula (I) wherein: R1 represents optionally substituted, C1-C12 alkyl or optionally substituted 3- to 10-membered saturated or unsaturated ring system comprising up to two ring carbon atoms that form carbonyl groups and comprising up to 4 ring heteroatoms independently selected from nitrogen, oxygen and sulfur; m is 0-1; Q represents OCH2, C1-C4 alkylene or C2-C4 alkenylene; T represents C(O)NH, or when m is 0, T may additionally represent a bond or NH, or when m is 1 and Q represents C1-C4 alkylene, T may additionally represent NH; n is 1-4; each R2 and R3 independently represents H or C1-C4 alkyl; V represents N, and W represents N or CH; X represents O, C(O), CH(OH), SO2, NH or N(C1-C6 alkyl), provided that when W represents N, then X represents either C(O) or SO2 and when W represents CH, then X is other than SO2; R4 represents optionally substituted phenyl; R5 and R6 each independently represent H, C1-C6 alkyl or hydroxyC1-C6 alkyl, or R5 and R6 together with the nitrogen atom to which they are attached form a 4- to 7-membered saturated heterocyclic ring; R7 and R8 each independently represent H or C1-C6 alkyl; and R9 represents OH or —NR7R8; processes for their preparation, pharmaceutical compositions containing them and their use in therapy.

  该发明提供了通式（I）的化合物，其中：R1代表可选择取代的C1-C12烷基或可选择取代的3-至10-成员饱和或不饱和环系统，包括最多两个环碳原子形成羰基，并包括最多4个环杂原子，独立选择自氮、氧和硫；m为0-1；Q代表OCH2，C1-C4烷基或C2-C4烯基；T代表C(O)NH，或当m为0时，T还可以表示键或NH，或当m为1且Q代表C1-C4烷基时，T还可以表示NH；n为1-4；每个R2和R3独立表示H或C1-C4烷基；V表示N，W表示N或CH；X表示O，C(O)，CH(OH)，SO2，NH或N(C1-C6烷基)，但当W表示N时，X表示C(O)或SO2，当W表示CH时，X不是SO2；R4代表可选择取代的苯基；R5和R6各自独立表示H，C1-C6烷基或羟基C1-C6烷基，或R5和R6与它们连接的氮原子一起形成4-至7-成员饱和杂环；R7和R8各自独立表示H或C1-C6烷基；R9表示OH或—NR7R8；它们的制备方法，含有它们的药物组合物以及它们在治疗中的用途。
• Piperidine derivatives useful as modulators of chemokine receptor activity
  申请人：——

  公开号：US20040235894A1

  公开（公告）日：2004-11-25

  The invention provides a compound of formula (I), wherein: T is C(O) or S(O) 2 ; W is C(O) or S(O) 2 ; X is CH 2 , O or NH; Y is CR 5 or N; R 1 is optionally substituted aryl or optionally substituted heterocyclyl; R 2 is hydrogen or C 1-6 alkyl; R 3 is hydrogen or optionally substituted C 1-6 alkyl; and R 4 is alkyl, optionally substituted aryl, optionally substituted aralkyl or optionally substituted heterocyclyl; that are modulators of chemokine (especially CCR3) activity and are especially useful for treating asthma and/or rhinitis. 1

  该发明提供了一个化合物的公式（I），其中：T为C（O）或S（O）2；W为C（O）或S（O）2；X为CH2，O或NH；Y为CR5或N；R1为可选择替代芳基或可选择替代杂环基；R2为氢或C1-6烷基；R3为氢或可选择替代C1-6烷基；R4为烷基，可选择替代芳基，可选择替代芳基烷基或可选择替代杂环基；这些化合物是趋化因子（尤其是CCR3）活性的调节剂，特别适用于治疗哮喘和/或鼻炎。
• Piperdine derivatives and their use as modulators of chemokine (especially ccr3) activity
  申请人：——

  公开号：US20040242577A1

  公开（公告）日：2004-12-02

  The invention provides a compound of formula (I): T is C(O) or S(O) 2 ; W is CH 2 , (CH 2 ) 2 , CH(CH 3 ), CH(CH 3 )O or cyclopropyl; X is O, CH 2 , C(O), S, S(O), S(O) 2 or NR 3 ; m is 0 or 1 ; R 1 is optionally substituted aryl or optionally substituted heterocyclyl; R 2 is alkyl (optionally substituted by OH), cycloalkyl, optionally substituted aryl or optionally substituted heterocyclyl; that are modulators of chemokine (especially CCR3) activity and are especially useful for treating asthma and/or rhinitis.

  本发明提供一种化合物，其化学式为(I)：其中T为C(O)或S(O)2；W为CH2、(CH2)2、CH(CH3)、CH(CH3)O或环丙基；X为O、CH2、C(O)、S、S(O)、S(O)2或NR3；m为0或1；R1为可选取代芳基或可选取代杂环基；R2为烷基（可选取代OH）、环烷基、可选取代芳基或可选取代杂环基。该化合物是趋化因子（特别是CCR3）活性的调节剂，特别适用于治疗哮喘和/或鼻炎。
• Novel compounds
  申请人：AstraZeneca AB, a Sweden corporation

  公开号：US20030134840A1

  公开（公告）日：2003-07-17

  The invention provides compounds of general formula 1 wherein R 1 , m, Q, T, n, R 2 , R 3 , V, W, X and R 4 are as defined in the specification, processes for their preparation, pharmaceutical compositions containing them and their use in therapy.

  本发明提供了一般式1的化合物，其中R1、m、Q、T、n、R2、R3、V、W、X和R4在说明书中定义，其制备方法，包含它们的制药组合物以及它们在治疗中的应用。