(2R,5R)-benzyl 5-(hydroxymethyl)-2-methyl-piperidine-1-carboxylate | 1088993-89-8

• 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: (2R,5R)-benzyl 5-(hydroxymethyl)-2-methyl-piperidine-1-carboxylate
• 英文别名: (2R,5R)-benzyl 5-(hydroxymethyl)-2-methylpiperidine-1-carboxylate；benzyl (2R,5R)-5-(hydroxymethyl)-2-methylpiperidine-1-carboxylate；benzyl (2R,5R)-5-hydroxymethyl-2-methyl-piperidine-1-carboxylate
• CAS: 1088993-89-8
• 化学式: C₁₅H₂₁NO₃
• 分子量: 263.337
• InChiKey: NRBMSSRNBMTDSV-TZMCWYRMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 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：

  (2R,5R)-benzyl 5-(hydroxymethyl)-2-methyl-piperidine-1-carboxylate 在 palladium diacetate 、 四(三苯基膦)钯 、 10 % Pd(OH)2/C 、 1,3-双(二苯基膦)丙烷 copper(l) iodide 、 N-羟基-7-氮杂苯并三氮唑 、 三苯基膦树脂 、 偶氮二甲酸二异丙酯 、 氢气 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 三乙胺 、 cesium fluoride 作用下， 以 乙醇 、 正己烷 、 二氯甲烷 、 二甲基亚砜 、 N,N-二甲基甲酰胺 为溶剂， 22.0~130.0 ℃ 、101.33 kPa 条件下， 反应 7.51h， 生成 methyl 3-(((2R,5R)-5-(((5-fluoropyridin-2-yl)oxy)methyl)-2-methylpiperidin-1-yl)carbonyl)-4-pyrimidin-2-yl-benzoate
  参考文献：
  名称：

  WO2008/147518

  摘要：

  公开号：
• 作为产物：
  描述：

  6-甲基哌啶-3-羧酸甲酯盐酸盐 在 lithium aluminium tetrahydride 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 0.33h， 生成 (2R,5R)-benzyl 5-(hydroxymethyl)-2-methyl-piperidine-1-carboxylate
  参考文献：
  名称：

  WO2008/147518

  摘要：

  公开号：

文献信息

• [EN] OXAZOLE OREXIN RECEPTOR ANTAGONISTS<br/>[FR] COMPOSÉS OXAZOLE ANTAGONISTES DES RÉCEPTEURS D'OREXINE
  申请人：MERCK SHARP & DOHME

  公开号：WO2015018029A1

  公开（公告）日：2015-02-12

  The present invention is directed to oxazole compounds which are antagonists of orexin receptors. The present invention is also directed to uses of the oxazole compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The present invention is also directed to pharmaceutical compositions comprising these compounds. The present invention is also directed to uses of these pharmaceutical compositions in the prevention or treatment of such diseases in which orexin receptors are involved.

  本发明涉及氧唑化合物，其为促进睡眠的受体拮抗剂。本发明还涉及所述氧唑化合物在潜在治疗或预防涉及促进睡眠的神经和精神障碍和疾病中的用途。本发明还涉及包含这些化合物的药物组合物。本发明还涉及这些药物组合物在预防或治疗涉及促进睡眠的疾病中的用途。
• [EN] OXAZOLE OREXIN RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DE RÉCEPTEUR D'OREXINE À BASE D'OXAZOLE
  申请人：MERCK SHARP & DOHME

  公开号：WO2015020930A1

  公开（公告）日：2015-02-12

  The present invention is directed to oxazole compounds which are antagonists of orexin receptors. The present invention is also directed to uses of the oxazole compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The present invention is also directed to pharmaceutical compositions comprising these compounds. The present invention is also directed to uses of these pharmaceutical compositions in the prevention or treatment of such diseases in which orexin receptors are involved.

  本发明涉及氧唑化合物，其为促进素受体的拮抗剂。本发明还涉及所述氧唑化合物在潜在的治疗或预防涉及促进素受体的神经和精神障碍和疾病中的用途。本发明还涉及包含这些化合物的药物组合物。本发明还涉及这些药物组合物在预防或治疗涉及促进素受体的疾病中的用途。
• [EN] PIPERIDINE ISOXAZOLE AND ISOTHIAZOLE OREXIN RECEPTOR ANTAGONISTS<br/>[FR] COMPOSÉS PIPÉRIDINES ISOXAZOLES ET ISOTHIAZOLES ANTAGONISTES DES RÉCEPTEURS DE L'OREXINE
  申请人：MERCK SHARP & DOHME

  公开号：WO2016065585A1

  公开（公告）日：2016-05-06

  The present invention is directed to piperidine isoxazole and isothiazole orexin compounds which are antagonists of orexin receptors. The present invention is also directed to uses of the compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The present invention is also directed to compositions comprising these compounds. The present invention is also directed to uses of these compositions in the prevention or treatment of such diseases in which orexin receptors are involved.

  本发明涉及对脑嗜睡肽受体的拮抗剂——哌啶异噁唑和异噻唑化合物。本发明还涉及所述化合物在潜在的治疗或预防涉及脑嗜睡肽受体的神经和精神障碍和疾病中的用途。本发明还涉及包含这些化合物的组合物。本发明还涉及这些组合物在预防或治疗涉及脑嗜睡肽受体的疾病中的用途。
• [EN] 2,5-DISUBSTITUTED PIPERIDINE OREXIN RECEPTOR ANTAGONISTS<br/>[FR] PIPÉRIDINES 2,5-DISUBSTITUÉES COMME ANTAGONISTES DU RÉCEPTEUR DE L'OREXINE
  申请人：MERCK SHARP & DOHME

  公开号：WO2010048010A1

  公开（公告）日：2010-04-29

  The present invention is directed to 2,5-disubstituted piperidine amide compounds which are antagonists of orexin receptors, and which are useful in the treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which orexin receptors are involved.

  本发明涉及2,5-二取代哌啶酰胺化合物，这些化合物是促进睡眠的受体拮抗剂，可用于治疗或预防神经系统和精神疾病，以及涉及促进睡眠的疾病。该发明还涉及包含这些化合物的药物组合物，以及这些化合物和组合物在预防或治疗涉及促进睡眠的疾病中的用途。
• PYRIDYL PIPERIDINE OREXIN RECEPTOR ANTAGONISTS
  申请人：Breslin Michael J.

  公开号：US20100168134A1

  公开（公告）日：2010-07-01

  The present invention is. directed to pyridyl piperidine compounds of formula (I) which are antagonists of orexin receptors, and which are useful' in the treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which orexin receptors are involved.

  本发明涉及式(I)的吡啶基哌啶化合物，其为促进睡眠激素受体的拮抗剂，可用于治疗或预防神经和精神障碍以及涉及促进睡眠激素受体的疾病。本发明还涉及包含这些化合物的药物组合物以及这些化合物和组合物在预防或治疗涉及促进睡眠激素受体的疾病中的用途。