1-苄基-4-(3-三氟甲基苯基)-1,2,3,6-四氢吡啶 | 346688-68-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-苄基-4-(3-三氟甲基苯基)-1,2,3,6-四氢吡啶
• 英文名称: 1-benzyl-4-(3-trifluoromethylphenyl)-1,2,3,6-tetrahydropyridine
• 英文别名: 1-benzyl-4-(3-trifluoromethyl-phenyl)-1,2,3,6-tetrahydro-pyridine；1-Benzyl-4-(3-trifluoromethylphenyl)-1,2,3,6-tetrahydro-pyridine；1-benzyl-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine
• CAS: 346688-68-4
• 化学式: C₁₉H₁₈F₃N
• 分子量: 317.354
• InChiKey: DKNMJFQLSCDGGG-UHFFFAOYSA-N

物化性质

• 沸点：
  386.6±42.0 °C(Predicted)
• 密度：
  1.198±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-苄基-4-(3-三氟甲基苯基)-1,2,3,6-四氢吡啶 在 甲醇 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 2.5h， 生成 4-(3-trifluoromethylphenyl)-1,2,3,6-tetrahydropyridinium chloride
  参考文献：
  名称：

  Synthesis and SAR study of 4-arylpiperidines and 4-aryl-1,2,3,6-tetrahydropyridines as 5-HT2C agonists

  摘要：

  A series of substituted 4-arylpiperidines and a smaller family of 4-aryl-1,2,3,6-tetrahydropyridines were synthesized and their biological activity at the 5-HT2C receptor studied to determine whether either series showed noteworthy agonist activity. Structure-activity relationships were developed from the performed receptor binding assays and functional studies, and the results of the analysis are presented herein. Crown Copyright (C) 2012 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.01.122
• 作为产物：
  描述：

  间溴三氟甲苯 在 甲烷磺酸 、 碘 、 magnesium 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 7.0h， 生成 1-苄基-4-(3-三氟甲基苯基)-1,2,3,6-四氢吡啶
  参考文献：
  名称：

  Synthesis and SAR study of 4-arylpiperidines and 4-aryl-1,2,3,6-tetrahydropyridines as 5-HT2C agonists

  摘要：

  A series of substituted 4-arylpiperidines and a smaller family of 4-aryl-1,2,3,6-tetrahydropyridines were synthesized and their biological activity at the 5-HT2C receptor studied to determine whether either series showed noteworthy agonist activity. Structure-activity relationships were developed from the performed receptor binding assays and functional studies, and the results of the analysis are presented herein. Crown Copyright (C) 2012 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.01.122

文献信息

• Modulators of dopamine neurotransmission
  申请人：Sonesson Clas

  公开号：US20060135531A1

  公开（公告）日：2006-06-22

  A 3-substituted 4-(phenyl-N-alkyl)-piperazine compound of the following formula: wherein R 1 is selected from the group consisting of OSO 2 CF 3 , OSO 2 CH 3 , SO 2 R 3 , COCF 3 , COCH 3 and COCH 2 CH 3 , wherein R 3 is as defined hereafter; R 2 is selected from the group consisting of C 1 -C 4 alkyls, allyl, CH 2 CH 2 CH 2 F, CH 2 CF 3 , 3,3,3-trifluoropropyl and 4,4,4-trifluorobutyl; R 3 is selected from the group consisting of C 1 -C 3 alkyls, CF 3 , and N(CH 3 ) 2 ; with the proviso that when R 1 is SO 2 R 3 and R 3 is a C 1 -C 3 alkyl, then R 2 is not CH 2 CH 2 OCH 3 ; or a pharmaceutically acceptable salt thereof are provided. Also, pharmaceutical compositions comprising the above compound and methods wherein the above compound is used for the treatment of various disorders are provided.

  提供以下结构的3-取代的4-(苯基-N-烷基)-哌嗪化合物：其中R1从OSO2CF3、OSO2CH3、SO2R3、COCF3、COCH3和COCH2CH3组成的群体中选择，其中R3如下所定义；R2从C1-C4烷基、烯丙基、CH2CH2CH2F、CH2CF3、3,3,3-三氟丙基和4,4,4-三氟丁基组成的群体中选择；R3从C1-C3烷基、CF3和N(CH3)2组成的群体中选择；但有一个条件，即当R1为SO2R3且R3为C1-C3烷基时，R2不是CH2CH2OCH3；或者其药学上可接受的盐。此外，还提供包含上述化合物的药物组合物和使用上述化合物治疗各种疾病的方法。
• [EN] NEW MODULATORS OF DOPAMINE NEUROTRANSMISSION<br/>[FR] NOUVEAUX MODULATEURS DE NEUROTRANSMISSION PAR DOPAMINE
  申请人：CARLSSON A RESEARCH AB

  公开号：WO2001046145A1

  公开（公告）日：2001-06-28

  New 3-substituted 4-(phenyl-N-alkyl)-piperazine and 4-(phenyl-N-alkyl)-piperidine compounds of Formula (1), wherein X N, CH, or C, however X may only be C when the compound comprises a double bond at the dotted line; R1 is OSO2CF3, OSO2CH3, SOR3, SO2R3, COR3, NO2, or CONHR3 and when X is CH or C R1 may also be CF3, CN, F, C1, Br, or I; R2 is a C1-C4 alkyl, an allyl, CH2SCH3, CH2CH2OCH3, CH2CH2CH2F, CH2CF3, 3,3,3-trifluoropropyl, 4,4,4- trifluorobutyl, or - (CH2) - R4; R3 is a C1-C3 alkyl, CF3, or N(R2)2; R4 is a C3-C6 cycloalkyl, 2-tetrahydrofurane or 3-tetra-hydrofurane, as well as pharmaceutically acceptable salts thereof are disclosed. Also pharmaceutical compositions comprising the above compounds and methods wherein the above compounds are used for treatment of disorders in the central nervous system are disclosed.

  公开了式（1）的新3-取代4-(苯基-N-烷基)-哌嗪和4-(苯基-N-烷基)-哌啶化合物，其中X为N、CH或C，但当该化合物在虚线处具有双键时，X只能为C；R1为OSO2CF3、OSO2CH3、SOR3、SO2R3、COR3、NO2或CONHR3，当X为CH或C时，R1还可以是CF3、CN、F、C1、Br或I；R2为C1-C4烷基、烯丙基、CH2SCH3、CH2CH2OCH3、CH2CH2CH2F、CH2CF3、3,3,3-三氟丙基、4,4,4-三氟丁基或-(CH2)-R4；R3为C1-C3烷基、CF3或N(R2)2；R4为C3-C6环烷基、2-四氢呋喃或3-四氢呋喃，以及其药学上可接受的盐。还公开了包括上述化合物的制药组合物以及使用上述化合物治疗中枢神经系统疾病的方法。
• Compositions pharmaceutiques à action anorexigène
  申请人：SANOFI S.A.

  公开号：EP0060179A1

  公开（公告）日：1982-09-15

  Compositions pharmaceutiques renfermant, en tant qu'ingrédients actifs, des 4-(3-trifluorométhylphényl)-1,2,3,6-tétrahydropyridines de formule dans laquelle R représente de l'hydrogène, un groupe alkyle ou benzyle, ainsi que leurs sels, à activité anorexigène, utiles dans le traitement de l'obésité

  含有 4-(3-三氟甲基苯基)-1,2,3,6-四氢吡啶（式中 R 代表氢、烷基或苄基）作为活性成分的药物组合物及其盐类，具有减肥活性，可用于治疗肥胖症
• 1-phenylpiperazine derivative as modulators of dopamine neurotransmission
  申请人：A. Carlsson Research AB

  公开号：EP1428822A2

  公开（公告）日：2004-06-16

  New 3-substituted 4-(phenyl-N-alkyl)-piperazine and 4-(phenyl-N-alkyl)-piperidine compounds of Formula 1: wherein X N, CH, or C, however X may only be C when the compound comprises a double bond at the dotted line; R1 is OSO2CF3, OSO2CH3, SOR3, SO2R3, COR3, NO2, or CONHR3 and when X is CH or C R1 may also be CF3, CN, F, Cl, Br, or I; R2 is a C1-C4 alkyl, an allyl, CH2SCH3, CH2CH2OCH3, CH2CH2CH2F, CH2CF3, 3,3,3-trifluoropropyl, 4,4,4-trifluorobutyl, or -(CH2)-R4; R3 is a C1-C3 alkyl, CF3, or N(R2)2; R4 is a C3-C6 cycloalkyl, 2-tetrahydrofurane or 3-tetra-hydrofurane, as well as pharmaceutically acceptable salts thereof are disclosed.    Also pharmaceutical compositions comprising the above compounds and methods wherein the above compounds are used for treatment of disorders in the central nervous system are disclosed.

  式 1 的新型 3-取代 4-(苯基-N-烷基)-哌嗪和 4-(苯基-N-烷基)-哌啶化合物： 其中 X 为 N、CH 或 C，但只有当化合物在虚线处包含双键时，X 才可以是 C；R1 为 OSO2CF3、OSO2CH3、SOR3、SO2R3、COR3、NO2 或 CONHR3，当 X 为 CH 或 C 时，R1 也可以是 CF3、CN、F、Cl、Br 或 I；R2是C1-C4烷基、烯丙基、CH2SCH3、CH2CH2OCH3、CH2CH2CH2F、CH2CF3、3,3,3-三氟丙基、4,4,4-三氟丁基或-(CH2)-R4；R3是C1-C3烷基、CF3或N(R2)2；R4是C3-C6环烷基、2-四氢呋喃或3-四氢呋喃，以及其药学上可接受的盐。 此外，还公开了包含上述化合物的药物组合物和上述化合物用于治疗中枢神经系统疾病的方法。
• USRE046117E1
  申请人：——

  公开号：——

  公开（公告）日：——