(S)4-[4-(4-chloro-benzoyl)-piperidin-1-ylmethyl]-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester | 389891-27-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (S)4-[4-(4-chloro-benzoyl)-piperidin-1-ylmethyl]-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester
• 英文别名: (S)-4-[4-(4-chloro-benzoyl)-piperidin-1-ylmethyl]-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester；tert-butyl (4S)-4-[[4-(4-chlorobenzoyl)piperidin-1-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
• CAS: 389891-27-4
• 化学式: C₂₃H₃₃ClN₂O₄
• 分子量: 436.979
• InChiKey: YNVYZYABKQJMNU-IBGZPJMESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  59.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (S)4-[4-(4-chloro-benzoyl)-piperidin-1-ylmethyl]-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester 、 盐酸 以 乙醇 为溶剂， 反应 1.0h， 以to afford [1-((S)-2-amino-3-hydroxy-propyl)-piperidin-4-yl]-(4-chloro-phenyl)-methanone hydrochloride的产率得到[1-((S)-2-amino-3-hydroxy-propyl)-piperidin-4-yl]-(4-chloro-phenyl)-methanone hydrochloride
  参考文献：
  名称：

  Piperidine compounds for use as ccr-3 inhibitors

  摘要：

  化合物的公式(I)，以自由或盐的形式存在，其中Ar1是苯基，被一个或多个卤素原子取代，Ar2是苯基或萘基，未取代或被一个或多个取代基所取代，所选的取代基包括卤素、氰基、羟基、硝基、C1-C8烷基、C1-C8卤代烷基、C1-C8烷氧基或C1-C8烷氧羰基，R1是氢或C1-C8烷基，可选择性地被羟基、C1-C8烷氧基、酰氧基、N(R2)R3、卤素、羧基、C1-C8烷氧羰基、—CON(R4)R5或单价环状有机基取代，R2和R3各自独立地是氢或C1-C8烷基，或R2是氢，R3是酰基或—SO2R4，R4和R5各自独立地与它们所连接的氮原子表示一个5-或6-成员的杂环基，R4和R5各自独立地是氢或C1-C8烷基，或R4和R5连同它们所连接的氮原子表示一个5-6成员的杂环基，R6是C1-C8烷基、C1-C8卤代烷基或苯基，可选择性地被C1-C8烷基取代，n为1、2、3或4，但当Ar1为对氯苯基且R1为氢时，Ar2不是苯基或对硝基苯基。这些化合物可用于制药。

  公开号：

  US20030176460A1
• 作为产物：
  描述：

  4-(4-氯苯甲酰基)哌啶 、 (R)-(+)-3-Boc-2,2-二甲基恶唑啉-4-甲醛 在 三乙酰氧基硼氢化钠 作用下， 以 四氢呋喃 为溶剂， 生成 (S)4-[4-(4-chloro-benzoyl)-piperidin-1-ylmethyl]-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  Piperidine compounds for use as ccr-3 inhibitors

  摘要：

  式（I）的化合物以自由或盐形式存在，其中Ar1是苯基，被一个或多个卤素原子取代，Ar2是苯基或萘基，未取代或被一个或多个卤素、氰基、羟基、硝基、C1-C8-烷基、C1-C8-卤代烷基、C1-C8-烷氧基或C1-C8-烷氧羰基中的一种或多种取代基取代，R1是氢或C1-C8-烷基，可选择地被羟基、C1-C8-烷氧基、酰氧基、N(R2)R3、卤素、羧基、C1-C8-烷氧羰基、—CON(R4)R5或一价环状有机基取代，R2和R3分别独立地是氢或C1-C8-烷基，或者R2是氢，R3是酰基或—SO2，R4和R5分别独立地与它们连接的氮原子表示一个5-或6-成员杂环基，R4和R5分别独立地是氢或C1-C8-烷基，或者R4和R5与它们连接的氮原子一起表示一个5-6-成员杂环基，R6是C1-C8-烷基、C1-C8-卤代烷基或苯基，可选择地被C1-C8-烷基取代，n为1、2、3或4，条件是当Ar1是对氯苯基且R1是氢时，Ar2不是苯基或对硝基苯基。这些化合物可用作药物。

  公开号：

  US20030176460A1

文献信息

• PIPERIDINE COMPOUNDS FOR USE AS CCR-3 INHIBITORS
  申请人：Novartis AG

  公开号：EP1303488A1

  公开（公告）日：2003-04-23
• US6670379B2
  申请人：——

  公开号：US6670379B2

  公开（公告）日：2003-12-30
• [EN] PIPERIDINE COUMPOUNDS FOR USE AS CCR-3 INHIBITORS<br/>[FR] COMPOSES DE PIPERIDINE S'UTILISANT EN TANT QU'INHIBITEURS CCR-3
  申请人：NOVARTIS AG

  公开号：WO2002004420A1

  公开（公告）日：2002-01-17

  Compounds of formula (I) in free or salt form, where Ar1 is phenyl substituted by one or more halogen atoms, Ar¿2? is phenyl or naphthyl which is unsubstituted or substituted by one or more substituents selected from halogen, cyano, hydroxy, nitro, C1-C8-alkyl, C1-C8-haloalkyl, C1-C8-alkoxy or C1-C8-alkoxycarbonyl, R?1¿ is hydrogen or C¿1?-C8-alkyl optionally substituted by hydroxy, C1-C8-alkoxy, acyloxy, N(R?2)R3¿, halogen, carboxy, C¿1?-C8-alkoxycarbonyl, -CON(R?4)R5¿ or by a monovalent cyclic organic group, R?2 and R3¿ are each independently hydrogen or C¿1?-C8-alkyl, or R?2¿ is hydrogen and R3 is acyl or -SO¿2?R?6, or R2 and R3¿ together with the nitrogen atom to which they are attached denote a 5- or 6-membered heterocyclic group, R?4 and R5¿ are each independently hydrogen or C¿1?-C8-alkyl, or R?4 and R5¿ together with the nitrogen atom to which they are attached denote a 5- 6-membered heterocyclic group, R6 is C1-C8-alkyl, C1-C8-haloalkyl, or phenyl optionally substituted by C1-C8-alkyl, and n is 1, 2, 3, or 4, with the proviso that when Ar1 is p-chlorophenyl and R1 is hydrogen, Ar2 is not phenyl or p-nitrophenyl. The compounds are useful as pharmaceuticals.
• Piperidine compounds for use as ccr-3 inhibitors
  申请人：——

  公开号：US20030176460A1

  公开（公告）日：2003-09-18

  Compounds of formula (I) in free or salt form, where Ar 1 is phenyl substituted by one or more halogen atoms, Ar 2 is phenyl or naphthyl which is unsubstituted or substituted by one or more substituents selected from halogen, cyano, hydroxy, nitro, C 1 -C 8 -alkyl, C 1 -C 8 -haloalkyl, C 1 -C 8 -alkoxy or C 1 -C 8 -alkoxycarbonyl, R 1 is hydrogen or C 1 -C 8 -alkyl optionally substituted by hydroxy, C 1 -C 8 -alkoxy, acyloxy, N(R 2 )R 3 , halogen, carboxy, C 1 -C 8 -alkoxycarbonyl, —CON(R 4 )R 5 or by a monovalent cyclic organic group, R 2 and R 3 are each independently hydrogen or C 1 -C 8 -alkyl, or R 2 is hydrogen and R 3 is acyl or —SO 2 R 4 and R 5 are each independently with the nitrogen atom to which they are attached denote a 5- or 6-membered heterocyclic group, R 4 and R 5 are each independently hydrogen or C 1 -C 8 -alkyl, or R 4 and R 5 together with the nitrogen atom to which they are attached denote a 5-6-membered heterocyclic group, R 6 is C 1 -C 8 -alkyl, C 1 -C 8 -haloalkyl, or phenyl optionally substituted by C 1 -C 8 -alkyl, and n is 1, 2, 3, or 4, with the proviso that when Ar 1 is p-chlorophenyl and R 1 is hydrogen, Ar 2 is not phenyl or p-nitrophenyl. The compounds are useful as pharmaceuticals.

  式（I）的化合物以自由或盐形式存在，其中Ar1是苯基，被一个或多个卤素原子取代，Ar2是苯基或萘基，未取代或被一个或多个卤素、氰基、羟基、硝基、C1-C8-烷基、C1-C8-卤代烷基、C1-C8-烷氧基或C1-C8-烷氧羰基中的一种或多种取代基取代，R1是氢或C1-C8-烷基，可选择地被羟基、C1-C8-烷氧基、酰氧基、N(R2)R3、卤素、羧基、C1-C8-烷氧羰基、—CON(R4)R5或一价环状有机基取代，R2和R3分别独立地是氢或C1-C8-烷基，或者R2是氢，R3是酰基或—SO2，R4和R5分别独立地与它们连接的氮原子表示一个5-或6-成员杂环基，R4和R5分别独立地是氢或C1-C8-烷基，或者R4和R5与它们连接的氮原子一起表示一个5-6-成员杂环基，R6是C1-C8-烷基、C1-C8-卤代烷基或苯基，可选择地被C1-C8-烷基取代，n为1、2、3或4，条件是当Ar1是对氯苯基且R1是氢时，Ar2不是苯基或对硝基苯基。这些化合物可用作药物。