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4-(3-甲硫基苯基)-1-丙基-1,2,3,6-四氢吡啶 | 1025882-24-9

中文名称
4-(3-甲硫基苯基)-1-丙基-1,2,3,6-四氢吡啶
中文别名
4-[3-(甲硫基)苯基]-1-丙基-1,2,3,6-四氢吡啶
英文名称
4-(3-methylsulfanyl-phenyl)-1-propyl-1,2,3,6-tetrahydro-pyridine
英文别名
4-[3-(Methylsulfanyl)phenyl]-1-propyl-1,2,3,6-tetrahydro-pyridine;4-(3-methylsulfanylphenyl)-1-propyl-3,6-dihydro-2H-pyridine
4-(3-甲硫基苯基)-1-丙基-1,2,3,6-四氢吡啶化学式
CAS
1025882-24-9
化学式
C15H21NS
mdl
——
分子量
247.404
InChiKey
AUEVPUKHNGEVFZ-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 沸点:
    368.2±42.0 °C(Predicted)
  • 密度:
    1.06±0.1 g/cm3(Predicted)
  • 溶解度:
    可溶于氯仿、可溶于二氯甲烷、甲醇

计算性质

  • 辛醇/水分配系数(LogP):
    3.6
  • 重原子数:
    17
  • 可旋转键数:
    4
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.47
  • 拓扑面积:
    28.5
  • 氢给体数:
    0
  • 氢受体数:
    2

上下游信息

  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    描述:
    4-(3-甲硫基苯基)-1-丙基-1,2,3,6-四氢吡啶 以75-80% over 3 steps的产率得到4 - [3 - (二甲基)苯基] - 1 -丙基-1,2,3,6 -四氢
    参考文献:
    名称:
    [EN] PROCESS FOR THE SYNTHESIS OF 4-(3-METHANESULFONYLPHENYL)-1-N-PROPYL-PIPERIDINE
    [FR] PROCEDE DE SYNTHESE DE 4-(3-METHANESULFONYLPHENYL)-1-N-PROPYL-PIPERIDINE
    摘要:
    本发明涉及制备4-(3-甲磺酰基苯基)-1-N-丙基哌啶(I)或其药学上可接受的盐的过程,包括:使用催化氧化剂和氧化剂氧化式为(II)的硫醚,得到式为(III)的化合物,然后催化还原式为(III)的化合物。
    公开号:
    WO2006040155A1
  • 作为产物:
    描述:
    3-thioanisolemagnesium bromide 在 三氟乙酸 作用下, 反应 0.25h, 生成 4-(3-甲硫基苯基)-1-丙基-1,2,3,6-四氢吡啶
    参考文献:
    名称:
    WO2008/127188
    摘要:
    公开号:
点击查看最新优质反应信息

文献信息

  • ANALOGS OF PRIDOPIDINE, THEIR PREPARATION AND USE
    申请人:Schmidt Malle
    公开号:US20150374677A1
    公开(公告)日:2015-12-31
    This invention provides an isolated compound having the structure: or a salt thereof. The invention also provides for a process for preparing 4-(3-(methylsulfonyl)phenyl)-1-propylpiperidin-4-ol, 1-(3,3-bis(3-(methylsulfonyl)phenyl)propyl)-4-(3-(methylsulfonyl) phenyl)piperidone, 1,4-bis((3-(1-propylpiperidin-4-yl)phenyl)sulfonyl)butane, (3R,4S)-4-(3-(methylsulfonyl)phenyl)-1-propylpiperidin-3-ol, 4-(3-(methylsulfonyl)phenyl)-1-propylpiperidine 1-oxide, 1-(2-methylpentyl)-4-(3-(methylsulfonyl)phenyl)piperidine, 4-(3-(methylsulfinyl)phenyl)-1-propyl-1,2,3,6-tetrahydropyridne, and 4-(3-(methylsulfonyl)phenyl)-1-propyl-1,2,3,6-tetrahydropyridine. This invention also provides an impurity or a salt thereof for use, as a reference standard to detect trace amounts of the impurity in a pharmaceutical composition comprising pridopidine or a pharmaceutically acceptable salt thereof. This invention further provides a process for producing a pridopidine drug product comprising obtaining a pridopidine drug substance and mixing the pridopidine drug substance with suitable excipients so as to produce the pridopidine drug product. This invention also provides a process for producing a pridopidine drug product. This invention also provides a process of distributing a pridopidine drug product.
    这项发明提供了一种具有以下结构的隔离化合物或其盐。该发明还提供了一种制备4-(3-(甲磺基)苯基)-1-丙基哌啶-4-醇、1-(3,3-双(3-(甲磺基)苯基)丙基)-4-(3-(甲磺基)苯基)哌啶酮、1,4-双((3-(1-丙基哌啶-4-基)苯基)磺酰基)丁烷、(3R,4S)-4-(3-(甲磺基)苯基)-1-丙基哌啶-3-醇、4-(3-(甲磺基)苯基)-1-丙基哌啶-1-氧化物、1-(2-甲基戊基)-4-(3-(甲磺基)苯基)哌啶、4-(3-(甲磺基亚硫基)苯基)-1-丙基-1,2,3,6-四氢吡啶和4-(3-(甲磺基)苯基)-1-丙基-1,2,3,6-四氢吡啶的过程。该发明还提供了一种用作参考标准的杂质或其盐,用于检测含普利多匹定或其药学上可接受的盐的药物组合物中微量杂质。该发明还提供了一种生产普利多匹定药物产品的过程,包括获得普利多匹定药物物质并将其与适当的赋形剂混合以生产普利多匹定药物产品。该发明还提供了一种生产普利多匹定药物产品的过程。该发明还提供了一种分发普利多匹定药物产品的过程。
  • 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.
    提供以下式子的3-取代的4-(苯基-N-烷基)-哌嗪化合物: 其中,R1选自以下群组:OSO2CF3、OSO2CH3、SO2R3、COCF3、COCH3和COCH2CH3,其中R3如下所定义;R2选自以下群组:C1-C4烷基、烯丙基、CH2CH2CH2F、CH2CF3、3,3,3-三氟丙基和4,4,4-三氟丁基;R3选自以下群组:C1-C3烷基、CF3和N(CH3)2;但是当R1为SO2R3且R3为C1-C3烷基时,R2不是CH2CH2OCH3。还提供了该化合物的药物可接受盐。此外,还提供了包含上述化合物的制药组合物以及使用上述化合物治疗各种疾病的方法。
  • [EN] PROCESS FOR THE SYNTHESIS OF 4-(3-METHANESULFONYLPHENYL)-1-N-PROPYL-PIPERIDINE<br/>[FR] PROCEDE DE SYNTHESE DE 4-(3-METHANESULFONYLPHENYL)-1-N-PROPYL-PIPERIDINE
    申请人:CARLSSON A RESEARCH AB
    公开号:WO2006040155A1
    公开(公告)日:2006-04-20
    The present invention is directed to processes for the preparation of 4-(3-methanesulfonyl-phenyl)-1-N-propylpiperidine (I) or a pharmaceutically acceptable salt thereof, which comprises: oxidizing a sulfide of the formula (II): with a catalytic oxidizing agent and an oxidant; to give a compound of the formula (III): followed by catalytic reduction of the compound of the formula (III).
    本发明涉及制备4-(3-甲磺酰基苯基)-1-N-丙基哌啶(I)或其药学上可接受的盐的过程,包括:使用催化氧化剂和氧化剂氧化式为(II)的硫醚,得到式为(III)的化合物,然后催化还原式为(III)的化合物。
  • N-OXIDE AND/OR DI-N-OXIDE DERIVATIVES OF DOPAMINE RECEPTOR STABILIZERS/MODULATORS DISPLAYING IMPROVED CARDIOVASCULAR SIDE-EFFECTS PROFILES
    申请人:Wikström Håkan V.
    公开号:US20100105736A1
    公开(公告)日:2010-04-29
    A compound having the general formula wherein A is selected from the group consisting of to the formation of a compound of the general formula (1) and a compound of the general formula (2) respectively, and pharmaceutically acceptable salts thereof, wherein R 1 is a member selected from the group consisting of CF 3 , OSO 2 CF 3 , OSO 2 CH 3 , SOR 4 , SO 2 R 4 , COR 4 , CN, OR 4 , NO 2 , CONHR 4 , 3-thiophene, 2-thiophene, 3-furane, 2-furane, F, Cl, Br and I, wherein R 4 is as defined below; R 2 is a member selected from the group consisting of H, F, Cl, Br, I, CN, CF 3 , CH 3 , OCH 3 , OH, NH 2 , SO m CF 3 , O(CH 2 ) m CF 3 , SO 2 N(R 4 ) 2 , CH═NOR 4 , COCOOR 4 , COCOON(R 4 ) 2 , (C 1 -C 8 )alkyl, (C 3 -C 8 )cykloalkyl, CH 2 OR 4 , CH 2 (R 4 ) 2 , NR 4 SO 2 CF 3 , NO 2 , at phenyl at positions 2, 4, 5 or 6, wherein x and R 4 are as defined below; R 3 is a member selected from the group consisting of hydrogen, CF 3 , CH 2 CF 3 , (C 1 -C 8 )alkyl, (C 3 -C 8 )cykloalkyl, (C 4 -C 9 )cycloalkylmethyl, (C 2 -C 8 )alkenyl, (C 2 -C 8 )alkynyl, 3,3,3-tri-fluoropropyl, 4,4,4-trifluorobutyl, CH 2 SCH 3 , CH 2 CH 2 OCH 3 , CH 2 CH 2 CH 2 F, CH 2 CF 3 , phenylethyl, 2-thiopheneethyl and 3-thiopheneethyl; R 4 is a member selected from the group consisting of hydrogen, CF 3 , CH 2 CF 3 , (C 1 -C 8 )alkyl, (C 3 -C 8 )cycloalkyl, (C 4 -C 9 )cycloalkylmethyl, (C 2 -C 8 )alkenyl, (C 2 -C 8 )alkynyl, 3,3,3-trifluoropropyl, 4,4,4-trifluorobutyl, 2-tetrahydrofurane and 3-tetrahydrofurane; X is selected from the group consisting of N and sp 3 -hybridized C; Y is selected from the group consisting of O and, when R 3 represents H, OH; Z is selected from the group consisting of H and OH when X is sp 3 -hybridized C or Z represents O or an electronic lone-pair when X is N; the dashed line represents a bond when X is sp 2 -hybridized C or is absent when X is N; m is an integer 1 or 2; n is an integer 1-3; provided that when n in Formula 1 is 2, R 1 is SO 2 CH 3 and R 2 is H R 3 does not represent n-propyl. The invention also relates to a pharmaceutical preparation containing said compound, the use of said compound for the manufacture of a pharmaceutical composition and a method for the treatment of a disorder in the central nervous system of a patient using said compound.
    一种具有通式的化合物, 其中A选自以下组: 至形成通式(1)的化合物和通式(2)的化合物, 以及其药学上可接受的盐, 其中R1是从以下组中选择的成员:CF3,OSO2CF3,OSO2CH3,SOR4,SO2R4,COR4,CN,OR4,NO2,CONHR4,3-噻吩,2-噻吩,3-呋喃,2-呋喃,F,Cl,Br和I,其中R4如下所定义; R2是从以下组中选择的成员:H,F,Cl,Br,I,CN,CF3,CH3,OCH3,OH,NH2,SOmCF3,O(CH2)mCF3,SO2N(R4)2,CH═NOR4,COCOOR4,COCOON(R4)2,(C1-C8)烷基,(C3-C8)环烷基,CH2OR4,CH2(R4)2,NR4SO2CF3,NO2,在苯基的2,4,5或6位置,其中x和R4如下所定义; R3是从以下组中选择的成员:氢,CF3,CH2CF3,(C1-C8)烷基,(C3-C8)环烷基,(C4-C9)环烷基甲基,(C2-C8)烯基,(C2-C8)炔基,3,3,3-三氟丙基,4,4,4-三氟丁基,CH2SCH3,CH2CH2OCH3,CH2CH2CH2F,CH2CF3,苯乙基,2-噻吩乙基和3-噻吩乙基; R4是从以下组中选择的成员:氢,CF3,CH2CF3,(C1-C8)烷基,(C3-C8)环烷基,(C4-C9)环烷基甲基,(C2-C8)烯基,(C2-C8)炔基,3,3,3-三氟丙基,4,4,4-三氟丁基,2-四氢呋喃和3-四氢呋喃; X选自以下组:N和sp3-杂化C; Y选自以下组:O和当R3表示H时,OH; Z选自以下组:当X为sp2-杂化C或X为N时,表示键,或当X为N时,表示O或电子孤对; 虚线表示键,当X为sp2-杂化C时,或当X为N时,表示不存在; m是1或2的整数; n是1-3的整数; 但是,当通式1中的n为2时,R1为SO2CH3,R2为H,R3不表示正丙基。 本发明还涉及含有该化合物的药物制剂,使用该化合物制造药物组成物的用途以及使用该化合物治疗患者中枢神经系统疾病的方法。
  • N-oxide and/or di-N-oxide derivatives of dopamine receptor stabilizers/modulators displaying improved cardiovascular side-effects profiles
    申请人:Wikström Håkan V.
    公开号:US09139525B2
    公开(公告)日:2015-09-22
    A compound having the general formula wherein A is selected from the group consisting of to the formation of a compound of the general formula (1) and a compound of the general formula (2) respectively, and pharmaceutically acceptable salts thereof, wherein R1 is a member selected from the group consisting of CF3, OSO2CF3, OSO2CH3, SOR4, SO2R4, COR4, CN, OR4, NO2, CONHR4, 3-thiophene, 2-thiophene, 3-furane, 2-furane, F, Cl, Br and I, wherein R4 is as defined below; R2 is a member selected from the group consisting of H, F, Cl, Br, I, CN, CF3, CH3, OCH3, OH, NH2, SOmCF3, O(CH2)mCF3, SO2N(R4)2, CH═NOR4, COCOOR4, COCOON(R4)2, (C1-C8)alkyl, (C3-C8)cykloalkyl, CH2OR4, CH2(R4)2, NR4SO2CF3, NO2, at phenyl at positions 2, 4, 5 or 6, wherein x and R4 are as defined below; R3 is a member selected from the group consisting of hydrogen, CF3, CH2CF3, (C1-C8)alkyl, (C3-C8)cykloalkyl, (C4-C9)cycloalkylmethyl, (C2-C8)alkenyl, (C2-C8)alkynyl, 3,3,3-tri-fluoropropyl, 4,4,4-trifluorobutyl, CH2SCH3, CH2CH2OCH3, CH2CH2CH2F, CH2CF3, phenylethyl, 2-thiopheneethyl and 3-thiopheneethyl; R4 is a member selected from the group consisting of hydrogen, CF3, CH2CF3, (C1-C8)alkyl, (C3-C8)cycloalkyl, (C4-C9)cycloalkylmethyl, (C2-C8)alkenyl, (C2-C8)alkynyl, 3,3,3-trifluoropropyl, 4,4,4-trifluorobutyl, 2-tetrahydrofurane and 3-tetrahydrofurane; X is selected from the group consisting of N and sp3-hybridized C; Y is selected from the group consisting of O and, when R3 represents H, OH; Z is selected from the group consisting of H and OH when X is sp3-hybridized C or Z represents O or an electronic lone-pair when X is N; the dashed line represents a bond when X is sp2-hybridized C or is absent when X is N; m is an integer 1 or 2; n is an integer 1-3; provided that when n in Formula 1 is 2, R1 is SO2CH3 and R2 is H R3 does not represent n-propyl. The invention also relates to a pharmaceutical preparation containing said compound, the use of said compound for the manufacture of a pharmaceutical composition and a method for the treatment of a disorder in the central nervous system of a patient using said compound.
    一种具有一般式的化合物,其中A选择自群体,包括形成一般式(1)的化合物和一般式(2)的化合物,以及其药学上可接受的盐,其中R1是选择自群体的成员,包括CF3,OSO2CF3,OSO2CH3,SOR4,SO2R4,COR4,CN,OR4,NO2,CONHR4,3-噻吩,2-噻吩,3-呋喃,2-呋喃,F,Cl,Br和I,其中R4如下所定义;R2是选择自群体的成员,包括H,F,Cl,Br,I,CN,CF3,CH3,OCH3,OH,NH2,SOmCF3,O(CH2)mCF3,SO2N(R4)2,CH═NOR4,COCOOR4,COCOON(R4)2,(C1-C8)烷基,(C3-C8)环烷基,CH2OR4,CH2(R4)2,NR4SO2CF3,NO2,在苯环上的2,4,5或6位置,其中x和R4如下所定义;R3是选择自群体的成员,包括氢,CF3,CH2CF3,(C1-C8)烷基,(C3-C8)环烷基,(C4-C9)环烷基甲基,(C2-C8)烯基,(C2-C8)炔基,3,3,3-三氟丙基,4,4,4-三氟丁基,CH2SCH3,CH2CH2OCH3,CH2CH2CH2F,CH2CF3,苯乙基,2-噻吩乙基和3-噻吩乙基;R4是选择自群体的成员,包括氢,CF3,CH2CF3,(C1-C8)烷基,(C3-C8)环烷基,(C4-C9)环烷基甲基,(C2-C8)烯基,(C2-C8)炔基,3,3,3-三氟丙基,4,4,4-三氟丁基,2-四氢呋喃和3-四氢呋喃;X选择自群体,包括N和sp3杂化的C;Y选择自群体,包括O和,当R3表示H时,OH;Z选择自群体,包括当X为sp2杂化的C时为键,当X为N时为缺失,或者当X为N时为O或电子孤对;虚线表示当X为sp2杂化的C时为键,当X为N时为缺失;m是1或2的整数;n是1-3的整数;但是,当式1中的n为2时,R1为SO2CH3,R2为H,R3不表示正丙基。本发明还涉及一种含有该化合物的药物制剂,使用该化合物制备药物组合物的用途以及使用该化合物治疗患者中枢神经系统疾病的方法。
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