(2R,4S)-4-hydroxy-2-(4-fluoro-2-methylphenyl)piperidine | 629956-92-9

• 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: (2R,4S)-4-hydroxy-2-(4-fluoro-2-methylphenyl)piperidine
• 英文别名: (2R,4S)-2-(4-fluoro-2-methyl)phenyl-4-hydroxypiperidine；(2R,4S)-2-(4-fluoro-2-methylphenyl)-4-hydroxypiperidine；(2R,4S)-2-(4-fluoro-2-methylphenyl)piperidin-4-ol
• CAS: 629956-92-9
• 化学式: C₁₂H₁₆FNO
• 分子量: 209.264
• InChiKey: NWXSVNFVBGBFMA-CMPLNLGQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  32.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (2R,4S)-4-hydroxy-2-(4-fluoro-2-methylphenyl)piperidine 、 N-(3,5-bistrifluoromethylbenzyl)-N-methyl-aminocarbonyl chloride 在 三乙胺 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 21.0h， 生成 (2R,4S)-1-{N-(3,5-bistrifluoromethylbenzyl)-N-methyl}amino-carbonyl-2-(4-fluoro-2-methylphenyl)-4-hydroxypiperidine
  参考文献：
  名称：

  [EN] NOVEL PIPERIDINE COMPOUND
  [FR] NOUVEAU COMPOSE DE PIPERIDINE

  摘要：

  本发明提供了一种新型哌啶化合物，其化学式为[I]：其中环A代表可选择取代的苯环，环B代表可选择取代的苯环，R1代表可选择取代的烷基团，可选择取代的羟基团等，或者化学式的一个基团：(a)其中R11和R12相同或不同，每个代表氢原子，取代的羰基团，取代的磺酰基团，可选择取代的烷基团等，R2代表氢原子等，Z代表氧原子或由-N(R3)-表示的基团，R3代表氢原子或烷基团等，R4代表氢原子或烷基团等，或其药学上可接受的盐。

  公开号：

  WO2003099787A1
• 作为产物：
  描述：

  (2R,4S)-2-(4-fluoro-2-methyl)phenyl-4-hydroxypiperidine N-tosyl-D-phenylalanine salt 在 sodium hydroxide 作用下， 以 水 为溶剂， 生成 (2R,4S)-4-hydroxy-2-(4-fluoro-2-methylphenyl)piperidine
  参考文献：
  名称：

  [EN] NOVEL PIPERIDINE COMPOUND
  [FR] NOUVEAU COMPOSE DE PIPERIDINE

  摘要：

  本发明提供了一种新型哌啶化合物，其化学式为[I]：其中环A代表可选择取代的苯环，环B代表可选择取代的苯环，R1代表可选择取代的烷基团，可选择取代的羟基团等，或者化学式的一个基团：(a)其中R11和R12相同或不同，每个代表氢原子，取代的羰基团，取代的磺酰基团，可选择取代的烷基团等，R2代表氢原子等，Z代表氧原子或由-N(R3)-表示的基团，R3代表氢原子或烷基团等，R4代表氢原子或烷基团等，或其药学上可接受的盐。

  公开号：

  WO2003099787A1

文献信息

• Novel piperidine compound
  申请人：Takahashi Masami

  公开号：US20050239829A1

  公开（公告）日：2005-10-27

  The present invention provides a novel piperidine compound of the formula [I]: wherein Ring A represents an optionally substituted benzene ring, Ring B represents an optionally substituted benzene ring, R 1 represents an optionally substituted alkyl group, an optionally substituted hydroxyl group, etc., or a group of the formula: (a) wherein R 11 and R 12 are the same or different, and each represents hydrogen atom, a substituted carbonyl group, a substituted sulfonyl group, an optionally substituted alkyl group, etc., R 2 represents hydrogen atom, etc., Z represents oxygen atom or a group represented by —N(R 3 )—, R 3 represents hydrogen atom or an alkyl group, etc., R 4 represents hydrogen atom or an alkyl group, etc., or a pharmaceutically acceptable salt thereof.

  本发明提供了一种新型哌啶化合物，其化学式为[I]：其中，环A代表可选取代的苯环，环B代表可选取代的苯环，R1代表可选取代的烷基，可选取代的羟基等，或者是化学式为(a)的基团，其中R11和R12相同或不同，每个代表氢原子，取代的羰基基团，取代的磺酰基基团，可选取代的烷基等，R2代表氢原子等，Z代表氧原子或者由—N(R3)—表示的基团，R3代表氢原子或者烷基等，R4代表氢原子或者烷基等，或其药学上可接受的盐。
• Piperidine compound and process for preparing the same
  申请人：Takahashi Masami

  公开号：US20070112029A1

  公开（公告）日：2007-05-17

  Disclosed are a novel piperidine compound represented by the general formula [I] below which has an excellent tachykinin receptor antagonizing activity and pharmacologically acceptable salts thereof. [I] In the formula, ring A represents an optionally substituted benzene ring; ring B represents an optionally substituted benzene ring; R 1 represents an optionally substituted hydroxyl group, a thiol group having a substituent, a sulfonyl group having a substituent, or a group represented by the following formula [II]: wherein R 11 represents a carbonyl group having a substituent or a sulfonyl group having a substituent and R 12 represents a hydrogen atom or an optionally substituted alkyl group; R 2 represents a hydrogen atom or the like; Z represents an oxygen atom or a group represented by —N(R 3 )— wherein R 3 represents an optionally substituted alkyl group or the like; R 4a represents an optionally substituted alkyl group; and R 4b represents an optionally substituted alkyl group.

  本发明公开了一种新型哌啶化合物，其通式如下[I]，具有优异的催吐肽受体拮抗活性和药理学上可接受的盐。其中，环A代表可选取代的苯环；环B代表可选取代的苯环；R1代表可选取代的羟基，具有取代基的硫醇基，具有取代基的磺酰基或由下式[II]表示的基团：其中，R11代表具有取代基的羰基基团或具有取代基的磺酰基基团，R12代表氢原子或可选取代的烷基基团；R2代表氢原子或类似物；Z代表氧原子或由—N(R3)—表示的基团，其中R3代表可选取代的烷基基团或类似物；R4a代表可选取代的烷基基团；R4b代表可选取代的烷基基团。
• METHOD FOR PREPARING OPTICALLY ACTIVE PIPERIDINE COMPOUNDS
  申请人：Matsumae Hiroaki

  公开号：US20090198052A1

  公开（公告）日：2009-08-06

  The present invention relates to a method for preparing a syn-form piperidine compound represented by general formula [I]: wherein, bold lines represent bonds in which substituents at positions 2 and 4 of a piperidine ring are in the syn configuration, and the other symbols have the same meaning as defined below, or a salt thereof, comprising: reducing a compound represented by general formula [II]: wherein, ring A represents an optionally substituted benzene ring, R 2 represents a hydrogen atom, an optionally substituted hydroxyl group, an optionally substituted amino group, an optionally substituted alkyl group, a substituted carbonyl group or a halogen atom, and M represents an alkaline metal or hydrogen atom.

  本发明涉及一种制备一种由通式[I]表示的syn型哌啶化合物的方法：其中，粗线表示哌啶环的2和4位取代基处为syn构型，其他符号的含义如下所定义，或其盐，包括：还原由通式[II]表示的化合物：其中，环A表示可选取代的苯环，R2表示氢原子、可选取代的羟基、可选取代的氨基、可选取代的烷基、取代的羰基或卤素原子，M表示碱金属或氢原子。
• PIPERIDINE COMPOUND AND METHOD FOR PRODUCING SAME
  申请人：TANABE SEIYAKU CO., LTD.

  公开号：EP1693367A1

  公开（公告）日：2006-08-23

  The present invention relates to a novel piperidine compound represented by the formula [I]: wherein Ring A represents an optionally substituted benzene ring, Ring B represents an optionally substituted benzene ring, R1 represents an optionally substituted hydroxyl group, a substituted thiol group, a substituted sulfonyl group, etc., or a group represented by the formula: R11 represents a substituted carbonyl group or a substituted sulfonyl group, R12 represents hydrogen atom or an optionally substituted alkyl group, R2 represents hydrogen atom, etc., Z represents oxygen atom or a group represented by -N(R3)-, R3 represents an optionally substituted alkyl group, etc., R4a represents an optionally substituted alkyl group, R4b represents an optionally substituted alkyl group, or a pharmaceutically acceptable salt thereof, having an excellent tachykinin receptor antagonistic action.

  本发明涉及一种由式 [I] 表示的新型哌啶化合物： 其中环 A 代表任选取代的苯环，环 B 代表任选取代的苯环，R1 代表任选取代的羟基、取代的硫醇基、取代的磺酰基等，或由式[I]代表的基团： R11 代表取代的羰基或取代的磺酰基，R12 代表氢原子或任选取代的烷基，R2 代表氢原子等，Z 代表氧原子或由 -N(R3)- 代表的基团，R3 代表任选取代的烷基等，R4a 代表任选取代的烷基，R4b 代表任选取代的烷基、 或其药学上可接受的盐，具有优异的速激肽受体拮抗作用。
• EP1693367
  申请人：——

  公开号：——

  公开（公告）日：——