1-t-butyloxycarbonyl-3-hydroxy-2-phenylpiperidine

• 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: 1-t-butyloxycarbonyl-3-hydroxy-2-phenylpiperidine
• 英文别名: 1-t-butoxycarbonyl-3-hydroxy-2-phenylpiperidine；(28,38) 1-t-butoxycarbonyl-3-hydroxy-2-phenylpiperidine；tert-butyl 3-hydroxy-2-phenylpiperidine-1-carboxylate
• 化学式: C₁₆H₂₃NO₃
• 分子量: 277.364
• InChiKey: ATJRDIDZQTXJLY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  49.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-t-butyloxycarbonyl-3-hydroxy-2-phenylpiperidine 生成 1-哌啶羧酸,3-羰基-2-苯基-,1,1-二甲基乙基酯,(2S)-
  参考文献：
  名称：

  Tetrahedron 2017, 73, 2100-2109

  摘要：

  DOI：
• 作为产物：
  描述：

  (2S,3R)-tert-butyl 3-(benzyloxyl)-2-phenylpiperidine-1-carboxylic acid 以90的产率得到1-t-butyloxycarbonyl-3-hydroxy-2-phenylpiperidine
  参考文献：
  名称：

  Tetrahedron 2017, 73, 2100-2109

  摘要：

  DOI：

文献信息

• Azacyclic compounds, processes for their preparation and pharmaceutical
  申请人：Merck Sharp & Dohme Limited

  公开号：US05459270A1

  公开（公告）日：1995-10-17

  ##STR1## Compounds of formula (I), and salts and prodrugs thereof wherein n is 1, 2 or 3; X represents O or S; R.sup.1 represents optionally substituted phenyl; R.sup.2 represents aryl, heteroaryl, benzhydryl, or benzyl; R.sup.4 and R.sup.5 each independently represent H, halo, CH.sub.2 OR.sup.9, C.sub.1-6 alkyl, oxo, CO.sub.2 R.sup.10 or CONR.sup.10 R.sup.11 ; R.sup.8 represents H, COR.sup.9, CO.sub.2 R.sup.10 or optionally substituted C.sub.1-6 alkyl; R.sup.9 represents H, C.sub.1-6 alkyl or phenyl; and R.sup.10 and R.sup.11 each independently represent H or C.sub.1-6 alkyl; are tachykinin antagonists. They and compositions thereof are useful in medicine.

  公式（I）的化合物，以及其盐和前药，其中n为1、2或3；X代表O或S；R.sup.1代表可选取代的苯基；R.sup.2代表芳基、杂环芳基、苄基或苄基；R.sup.4和R.sup.5各自独立地代表H、卤素、CH.sub.2OR.sup.9、C.sub.1-6烷基、氧代、CO.sub.2R.sup.10或CONR.sup.10R.sup.11；R.sup.8代表H、COR.sup.9、CO.sub.2R.sup.10或可选取代的C.sub.1-6烷基；R.sup.9代表H、C.sub.1-6烷基或苯基；R.sup.10和R.sup.11各自独立地代表H或C.sub.1-6烷基；它们是催吐肽拮抗剂。它们及其组合物在医学上有用。
• Azacyclic compounds, processes for their preparation and pharmaceutical compositions containing them
  申请人：MERCK SHARP & DOHME LTD.

  公开号：EP0528495A1

  公开（公告）日：1993-02-24

  Compounds of formula (I), and salts and prodrugs thereof wherein    n is 1, 2 or 3;    X represents O or S;    R¹ represents optionally substituted phenyl;    R² represents aryl, heteroaryl, benzhydryl, or benzyl;    R⁴ and R⁵ each independently represent H, halo, CH₂OR⁹, C₁₋₆alkyl, oxo, CO₂R¹⁰ or CONR¹⁰R¹¹;    R⁸ represents H, COR⁹, CO₂R¹⁰ or optionally substituted C₁₋₆alkyl;    R⁹ represents H, C₁₋₆alkyl or phenyl; and    R¹⁰ and R¹¹ each independently represent H or C₁₋₆alkyl; are tachykinin antagonists. They and compositions thereof are useful in medicine.

  式(I)的化合物，以及其盐和前药，其中n为1、2或3；X代表O或S；R¹代表可选取代的苯基；R²代表芳基、杂芳基、苯甲醇或苄基；R⁴和R⁵各自独立地代表H、卤素、CH₂OR⁹、C₁₋₆烷基、氧代、CO₂R¹⁰或CONR¹⁰R¹¹；R⁸代表H、COR⁹、CO₂R¹⁰或可选取代的C₁₋₆烷基；R⁹代表H、C₁₋₆烷基或苯基；而R¹⁰和R¹¹各自独立地代表H或C₁₋₆烷基；它们是缓激肽拮抗剂。它们及其组合物在医学上有用。
• Piperidine tachykinin receptor antagonists
  申请人：Merck Sharp & Dohme Limited

  公开号：US05444074A1

  公开（公告）日：1995-08-22

  Compounds of formula (I), and salts and prodrugs thereof ##STR1## wherein n is 1, 2 or 3; X represents O or S; Y represents a hydrocarbon chain of 1, 2, 3 or 4 carbon atoms optionally substituted by oxo; R.sup.1 is phenyl optionally substituted by 1, 2 or 3 of C.sub.1-6 alkyl, C.sub.2-6 alkenyl, C.sub.2-6 alkynyl, halo, cyano, nitro, trifluoromethyl, trimethylsilyl, --OR.sup.a, SR.sup.a, SOR.sup.a, SO.sub.2 R.sup.a, --NR.sup.a R.sup.b, --NR.sup.a COR.sup.b, --NR.sup.a CO.sub.2 R.sup.b, --CO.sub.2 R.sup.a or --CONR.sup.a R.sup.b ; R.sup.2 is phenyl, indazolyl, thienyl, furyl, pyridyl, thiazolyl, tetrazolyl, quinolyl, benzhydryl, or benzyl; R.sup.4 and R.sup.5 each independently represent H, halo, C.sub.1-6 alkyl, oxo, CH.sub.2 OR.sup.a, CO.sub.2 R.sup.a or CONR.sup.a R.sup.b ; R.sup.8 represents an optionally substituted aromatic heterocycle; and R.sup.a and R.sup.b are H, trifluoromethyl, C.sub.1-6 alkyl or phenyl optionally substituted by C.sub.1-6 alkyl, halo or trifluoromethyl; are tachykinin antagonists useful in medicine.

  化合物的公式（I），以及其盐和前药 其中n为1、2或3；X表示O或S；Y表示1、2、3或4个碳原子的烃基链，可选地被氧代取代；R1是苯基，可选地被1、2或3个C1-6烷基、C2-6烯基、C2-6炔基、卤素、氰基、硝基、三氟甲基、三甲基硅基、--ORa、SRa、SORa、SO2Ra、--NRaRb、--NRaCORb、--NRaCO2Rb、--CO2Ra或--CONRaRb取代；R2是苯基、吲唑基、噻吩基、呋喃基、吡啶基、噻唑基、四唑基、喹啉基、苯基甲基或苄基；R4和R5各自独立地表示H、卤素、C1-6烷基、氧代、CH2ORa、CO2Ra或CONRaRb；R8表示可选择取代的芳香杂环；R a和R b是H、三氟甲基、C1-6烷基或可选择地被C1-6烷基、卤素或三氟甲基取代的苯基；它们是医药上有用的速激肽拮抗剂。
• Spiro-piperidine derivatives and their use as tachykinin antagonists
  申请人：Merck Sharp & Dohme Ltd.

  公开号：US06060469A1

  公开（公告）日：2000-05-09

  The present invention relates to compounds of formula (I), ##STR1## wherein R.sup.1 represents halogen, hydroxy, C.sub.1-6 alkyl group optionally substituted by one or three fluorine atoms, C.sub.1-6 alkoxy group optionally substituted by one to three fluorine atoms, or C.sub.1-6 alkylthio optionally substituted by one to three fluorine atoms; R.sup.2 represents hydrogen, halogen, C.sub.1-6 alkyl or C.sub.1-6 alkoxy; or when R.sup.2 is adjacent to R.sup.1, they may be joined together such that there is formed a 5- or 6-membered saturated or unsaturated ring containing one or two oxygen atoms; R.sup.3 represents an optionally substituted 5- or 6-membered aromatic heterocyclic group containing 1, 2, 3 or 4 heteroatoms, selected from nitrogen, oxygen and sulphur; m is 0-3 and n is 0-3, with the proviso that the sum total of m+n is 2 or 3; p is zero or 1; q is 1 or 2; and when m is 1 and n is 1 or 2, the broken line represents an optional double bond; R.sup.4, R.sup.5, R.sup.6, R.sup.9 and R.sup.10 are a variety of substituents defined in the specification; or a pharmaceutically acceptable salt thereof. The compounds are of particular use in the treatment or prevention of pain, inflammation, emesis and postherpetic neuralgia.

  本发明涉及式(I)的化合物，其中R.sup.1代表卤素，羟基，C.sub.1-6烷基（可选择性地被1或3个氟原子取代），C.sub.1-6烷氧基（可选择性地被1至3个氟原子取代），或C.sub.1-6烷硫基（可选择性地被1至3个氟原子取代）; R.sup.2代表氢，卤素，C.sub.1-6烷基或C.sub.1-6烷氧基; 或当R.sup.2邻接R.sup.1时，它们可以结合在一起形成一个含有一个或两个氧原子的5-或6-成员饱和或不饱和环; R.sup.3代表一个可选择性取代的5-或6-成员芳香杂环基，该杂环基含有1、2、3或4个杂原子，选择自氮、氧和硫; m为0-3，n为0-3，但满足m + n的总和为2或3; p为零或1; q为1或2; 当m为1且n为1或2时，断裂线表示可选择性的双键; R.sup.4、R.sup.5、R.sup.6、R.sup.9和R.sup.10是规范中定义的各种取代基; 或其药学上可接受的盐。该化合物特别适用于治疗或预防疼痛、炎症、呕吐和带状疱疹后神经痛。
• AZACYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM
  申请人：MERCK SHARP & DOHME LTD.

  公开号：EP0600952A1

  公开（公告）日：1994-06-15