{1-[(3-methylphenyl)carbonyl]-4-piperidyl}methyl 4-methylbenzenesulphonate | 120848-74-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: {1-[(3-methylphenyl)carbonyl]-4-piperidyl}methyl 4-methylbenzenesulphonate
• 英文别名: [1-(3-methylbenzoyl)-4-piperidinyl]methyl 4-methylbenzenesulphonate；[1-(3-methylbenzoyl)-4-piperidyl]methyl 4-methylbenzenesulphonate；{1-[(3-methylphenyl)carbonyl]-4-piperidyl}methyl (4-methylphenyl)sulphonate；1-(3-methylbenzoyl) 4-(4-methylbenzenesulfonyloxymethyl) piperidine；[1-(3-methylbenzoyl)piperidin-4-yl]methyl 4-methylbenzenesulfonate
• CAS: 120848-74-0
• 化学式: C₂₁H₂₅NO₄S
• 分子量: 387.5
• InChiKey: XCGSERQBWFFOKM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  72.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  {1-[(3-methylphenyl)carbonyl]-4-piperidyl}methyl 4-methylbenzenesulphonate 、 1,2,3,4-四氢-9H-吡啶[3,4-B]并吲哚 在 potassium carbonate 作用下， 以 N-甲基乙酰胺 为溶剂， 生成 2-{[1-(3-Methylbenzoyl)-4-piperidyl]methyl}-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indole
  参考文献：
  名称：

  2-[(4-piperidyl)methyl]-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indole

  摘要：

  一种化合物，是公式(I)的吡啶并[3,4-b]衍生物，其中R是氢原子或公式COR.sub.1的烷基羰基、芳基烷基羰基或芳基羰基基团，其中R.sub.1是C.sub.1-C.sub.6烷基、苄基或未取代或取代有1至3个卤素原子和三氟甲基、C.sub.1-C.sub.3烷基和C.sub.1-C.sub.3烷氧基基团的苯基基团，或R是公式COOR.sub.2的烷氧羰基或苄氧羰基基团，其中R.sub.2是C.sub.1-C.sub.6烷基或苄基，或R是公式CONHR.sub.3的取代氨基羰基，其中R.sub.3是C.sub.1-C.sub.6烷基或苯基，或R是公式SO.sub.2R.sub.4的芳基磺酰基团，其中R.sub.4是苯基，或其药理学上可接受的酸盐，用于治疗高血压、抑郁状态或焦虑状态。

  公开号：

  US04977159A1
• 作为产物：
  描述：

  1-[(3-methylphenyl)carbonyl]-4-piperidinemethanol 、 对甲苯磺酰氯 在 ice 、 二氯甲烷 、 盐酸 、 magnesium sulfate 、 white solid 作用下， 以 吡啶 为溶剂， 反应 4.0h， 生成 {1-[(3-methylphenyl)carbonyl]-4-piperidyl}methyl 4-methylbenzenesulphonate
  参考文献：
  名称：

  2,3-dihydro-1H-isoindole derivatives and their application in therapy

  摘要：

  一种苯并氮杂环衍生物，其化合物的化学式为（I）：##STR1## 其中m和n中的每一个表示数字1，或m和n中的每一个表示数字2，或m表示数字3，n表示数字1; R表示氢或公式--Z--R'的基团，其中Z表示--CO--或--CH.sub.2--基团，R'表示未取代或取代一个至三个卤素原子、线性或支链（C.sub.1-C.sub.3）烷基和线性或支链（C.sub.1-C.sub.3）烷氧基的苯基基团，或药理学上可接受的酸加成盐。

  公开号：

  US05081128A1

文献信息

• 2-((4-piperidyl)methyl)benzofuro(2,3-C)pyridine derivatives, and their
  申请人：Synthelabo

  公开号：US04931449A1

  公开（公告）日：1990-06-05

  A compound of formula (I) ##STR1## in which R is a benzyl, benzoyl, 3-chlorobenzoyl, 3-methylbenzoyl or (C.sub.1 -C.sub.6 alkoxy)carbonyl group, or a pharmacologically acceptable acid addition salt thereof.

  式(I)化合物 ##STR1## 其中R为苄基、苯甲酰、3-氯苯甲酰、3-甲基苯甲酰或(C₁-C₆烷氧基)羰基，或其药学上可接受的酸加成盐。
• 2-((4-Piperidyl)methyl)-1,2,3,4-tetrahydroisoquinoline derivatives,
  申请人：——

  公开号：US04885302A1

  公开（公告）日：1989-12-05

  A compound of formula (I) ##STR1## in which R is (a) a hydrogen atom; (b) a linear or branched (C.sub.1 -C.sub.6) alkyl group; an allyl group; a cycloalkylmethyl group in which the cycloalkyl moiety has from 3 to 6 carbon atoms; a phenylmethyl group unsubstituted or substituted with one to three substituents chosen from halogen atoms and trifluoromethyl, nitro, amino, dimethylamino, cyano, aminocarbonyl, linear or branched (C.sub.1 -C.sub.3) alkyl, linear or branched (C.sub.1 -C.sub.3) alkoxy and linear or branched (C.sub.1 -C.sub.3) alkylthio groups; a 2-phenylethyl group; a 3-phenylpropyl group; a 3-phenyl-2-propenyl group; a phenylcarbonylmethyl group; a naphthylmethyl group; a pyridylmethyl group; a furylmethyl group; or a thienylmethyl group; or (c) a linear or branched (C.sub.2 -C.sub.6) alkanoyl group; a cycloalkylcarbonyl group in which the cycloalkyl moiety has from 3 to 6 carbon atoms; a trifluoroacetyl group; a phenyl-carbonyl group unsubstituted or substituted with one to three substituents chosen from halogen atoms and trifluoromethyl, nitro, linear or branched (C.sub.1 -C.sub.3) alkyl, linear or branched (C.sub.1 -C.sub.3) alkoxy and linear or branched (C.sub.1 -C.sub.3) alkylthio groups; a 1-oxo-3-phenyl-2-propenyl group; a naphthylcarbonyl group; a pyridylcarbonyl group; a furylcarbonyl group; a thienylcarbonyl group; a (2-indolyl)-carbonyl group; or a (5-indolyl)carbonyl group; or a pharmacologically acceptable acid addition salt thereof.

  化学式（I）的化合物##STR1##中，其中R是（a）氢原子；（b）线性或支链（C.sub.1-C.sub.6）烷基基团；烯丙基基团；环烷基甲基基团，其中环烷基部分具有3至6个碳原子；未取代或取代有来自卤素原子和三氟甲基、硝基、氨基、二甲胺基、氰基、氨基羰基、线性或支链（C.sub.1-C.sub.3）烷基、线性或支链（C.sub.1-C.sub.3）烷氧基和线性或支链（C.sub.1-C.sub.3）硫代烷基基团的苯甲基基团；2-苯乙基基团；3-苯基丙基基团；3-苯基-2-丙烯基基团；苯甲酰基基团；萘甲基基团；吡啶甲基基团；呋喃甲基基团；或噻吩甲基基团；或（c）线性或支链（C.sub.2-C.sub.6）烷酰基基团；环烷基羰基基团，其中环烷基部分具有3至6个碳原子；三氟乙酰基基团；未取代或取代有来自卤素原子和三氟甲基、硝基、线性或支链（C.sub.1-C.sub.3）烷基、线性或支链（C.sub.1-C.sub.3）烷氧基和线性或支链（C.sub.1-C.sub.3）硫代烷基基团的苯羰基基团；1-氧代-3-苯基-2-丙烯基基团；萘羰基基团；吡啶羰基基团；呋喃羰基基团；噻吩羰基基团；（2-吲哚基）-羰基基团；或（5-吲哚基）羰基基团；或其药理学上可接受的酸盐。
• Derivatives of 2-((4-piperidinyl)methyl)-1,2,3,4-tetrahydroisoquinoline,
  申请人：Synthelabo

  公开号：US04925850A1

  公开（公告）日：1990-05-15

  A compound of formula (I): ##STR1## in which: X is hydrogen or a methyl or methoxy group; Y is a halogen or a methyl or methoxy group; and R is a group of formula --Z--R' in which: Z is a --CH.sub.2 -- group, and R' is a phenyl group unsubstituted or substituted by one, two or three substituents selected from halogen atoms and trifluoromethyl, linear or branched (C.sub.1 -C.sub.3) alkyl and linear or branched (C.sub.1 -C.sub.3) alkoxy groups; or a pharmacologically acceptable acid addition salt thereof.

  化合物的结构式（I）：##STR1## 其中：X为氢原子或甲基或甲氧基；Y为卤素或甲基或甲氧基；R为一个具有结构式--Z--R'的基团，其中：Z为--CH.sub.2--基团，R'为未取代或被一个、两个或三个卤素原子和三氟甲基、直链或支链（C.sub.1-C.sub.3）烷基和直链或支链（C.sub.1-C.sub.3）烷氧基中选择的取代基的苯基；或其药理学上可接受的酸盐。
• Treatment of a depressive state with
  申请人：Synthelabo

  公开号：US04945096A1

  公开（公告）日：1990-07-31

  A compound of formula (I) ##STR1## in which R is (a) a hydrogen atom; (b) a linear or branched (C.sub.1 -C.sub.6) alkyl group; an allyl group; a cycloalkylmethyl group in which the cycloalkyl moiety has from 3 to 6 carbon atoms; a phenylmethyl group unsubstituted or substituted with one to three substituents chosen from halogen atoms and trifluoromethyl, nitro, amino, dimethylamino, cyano, aminocarbonyl, linear or branched (C.sub.1 -C.sub.3) alkyl, liner or branched (C.sub.1 -C.sub.3) alkoxy and linear or branched (C.sub.1 -C.sub.3) alkylthio groups; a 2-phenylethyl group; a 3-phenylpropyl group; a 3-phenyl-2-propenyl group; a phenylcarbonylmethyl group; a naphthylmethyl group; a pyridylmethyl group; a furylmethyl group; or a thienylmethyl group; or (c) a linear or branched (C.sub.2 -C.sub.6) alkanoyl group; a cycloalkylcarbonyl group in which the cycloalkyl moiety has from 3 to 6 carbon atoms; a trifluoroacetyl group; a phenylcarbonyl group unsubstituted or substituted with one to three substituents chosen from halogen atoms and trifluoromethyl, nitro, linear or branched (C.sub.1 -C.sub.3) alkyl, linear or branched (C.sub.1 -C.sub.3) alkoxy and linear or branched (C.sub.1 -C.sub.3) alkylthio groups; a 1-oxo-3-phenyl-2-propenyl group; a naphthylcarbonyl group; a pyridylcarbonyl group; a furylcarbonyl group; a thienylcarbonyl group; a (2-indolyl)carbonyl group; or a (5-indolyl)carbonyl group; or a pharmacologically acceptable acid addition salt thereof.

  化合物的公式(I) ##STR1## 其中R是(a)氢原子；(b)线性或支链(C.sub.1-C.sub.6)烷基；烯丙基；环烷甲基，其中环烷基含有3到6个碳原子；苯甲基，未取代或取代有1至3个取代基，所述取代基选择自卤原子和三氟甲基、硝基、氨基、二甲氨基、氰基、氨基甲酰、线性或支链(C.sub.1-C.sub.3)烷基、线性或支链(C.sub.1-C.sub.3)烷氧基和线性或支链(C.sub.1-C.sub.3)烷硫基；2-苯乙基；3-苯基丙基；3-苯基-2-丙烯基；苯甲酰甲基；萘甲基；吡啶甲基；呋喃甲基；或噻吩甲基；或(c)线性或支链(C.sub.2-C.sub.6)脂肪酰基；环烷基羰基，其中环烷基含有3到6个碳原子；三氟乙酰基；苯甲酰基，未取代或取代有1至3个取代基，所述取代基选择自卤原子和三氟甲基、硝基、线性或支链(C.sub.1-C.sub.3)烷基、线性或支链(C.sub.1-C.sub.3)烷氧基和线性或支链(C.sub.1-C.sub.3)烷硫基；1-氧代-3-苯基-2-丙烯基；萘基羰基；吡啶基羰基；呋喃基羰基；噻吩基羰基；(2-吲哚基)羰基；或(5-吲哚基)羰基；或其药理学上可接受的酸盐。
• GEORGE, PASCAL;SEVRIN, MIREILLE;MALOIZEL, CHRISTIAN;TIXIDRE, ARLETTE;FROI+
  作者：GEORGE, PASCAL、SEVRIN, MIREILLE、MALOIZEL, CHRISTIAN、TIXIDRE, ARLETTE、FROI+

  DOI：——

  日期：——