1,1-dimethylethyl (3S-trans)-3-hydroxy-4-[[(phenylmethyl)amino]methyl]-1-piperidinecarboxylate | 819800-92-5

• 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: 1,1-dimethylethyl (3S-trans)-3-hydroxy-4-[[(phenylmethyl)amino]methyl]-1-piperidinecarboxylate
• 英文别名: 1,1-Dimethylethyl (trans)-3-hydroxy4-[[(phenylmethyl)amino]methyl]-1-piperidinecarboxylate；tert-butyl (3S,4S)-4-[(benzylamino)methyl]-3-hydroxypiperidine-1-carboxylate
• CAS: 819800-92-5
• 化学式: C₁₈H₂₈N₂O₃
• 分子量: 320.432
• InChiKey: FYKPGIMFHYEWIL-JKSUJKDBSA-N

物化性质

• 沸点：
  446.5±35.0 °C(Predicted)
• 密度：
  1.109±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  61.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,1-dimethylethyl (3S-trans)-3-hydroxy-4-[[(phenylmethyl)amino]methyl]-1-piperidinecarboxylate 在 钯 crude residue 、 氢气 、 (3S,4S)-4-(氨基甲基)-3-羟基哌啶-1-羧酸叔丁酯 作用下， 以 甲醇 为溶剂， 以yielding 4 g (76%) of 1,1-dimethylethyl(trans)-4-(aminomethyl)-3-hydroxy-1-piperidinecarboxylate (intermediate 1-e, mp. 178° C.)的产率得到(3S,4S)-4-(氨基甲基)-3-羟基哌啶-1-羧酸叔丁酯
  参考文献：
  名称：

  Bicyclic Benzamides of 3-Or-4-Substituted 4-(Aminomethyl)-Piperidine Derivatives

  摘要：

  本发明涉及式(I)化合物及其立体化学异构体、N-氧化物形式或药学上可接受的酸加成盐。公开了制备上述产品的过程、包含上述产品的配方以及它们作为药物的用途，特别是用于治疗与胃排空障碍有关的疾病。

  公开号：

  US20120028987A1
• 作为产物：
  描述：

  1,1-dimethylethyl (trans)-3-hydroxy-4-[[(phenylmethyl)amino]methyl]-1-piperidinecarboxylate 生成 1,1-dimethylethyl (3S-trans)-3-hydroxy-4-[[(phenylmethyl)amino]methyl]-1-piperidinecarboxylate
  参考文献：
  名称：

  [EN] 5HT4-ANTAGONISTIC 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES
  [FR] 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES ANTAGONISTES DES RECEPTEURS 5HT4

  摘要：

  本发明涉及具有5HT4拮抗性质的式(I)的新化合物。该发明还涉及制备这种新化合物的方法，包括该新化合物的药物组合物以及该化合物作为药物的用途。

  公开号：

  WO2005003122A1

文献信息

• [EN] 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES AS 5HT4-ANTAGONISTS<br/>[FR] 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES SERVANT D'ANTAGONISTES DE 5HT4
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2005000838A1

  公开（公告）日：2005-01-06

  The present invention is concerned with novel compounds of formula (I) having 5HT4-antagonistic properties. The invention further relates to methods for preparing such novel compounds, pharmaceutical compositions comprising said novel compounds as well as the use as a medicine of said compounds.

  本发明涉及具有5HT4拮抗性质的式(I)的新化合物。该发明还涉及制备这种新化合物的方法，包括将该新化合物作为药物的药物组合物以及该化合物的药用用途。
• [EN] AMINOSULFONYL SUBSTITUTED 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES AS 5HT4-ANTAGONISTS<br/>[FR] AMINOSULFONYLE SUBSTITUE 4-(AMINOMETHYLE)-PIPERIDINE BENZAMIDES UTILISE COMME 5HT4-ANTAGONISTES
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2005000837A1

  公开（公告）日：2005-01-06

  The present invention is concerned with novel compounds of formula (I) having 5HT4-antagonistic properties. The invention further relates to methods for preparing such novel compounds, pharmaceutical compositions comprising said novel compounds as well as the use as a medicine of said compounds.

  本发明涉及具有5HT4-拮抗性质的式（I）的新化合物。该发明还涉及制备这种新化合物的方法，包括这些新化合物的药物组合物以及这些化合物作为药物的用途。
• [EN] HETEROCYCLIC SUBSTITUTED 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES AS 5HT4-ANTAGONISTS<br/>[FR] 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES SUBSTITUES PAR DES HETEROCYCLES, UTILISES COMME ANTAGONISTES DES RECEPTEURS 5HT4
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2005003124A1

  公开（公告）日：2005-01-13

  The present invention is concerned with novel compounds of formula (I) having 5HT4-antagonistic properties. The invention further relates to methods for preparing such novel compounds, pharmaceutical compositions comprising said novel compounds as well as the use as a medicine of said compounds.

  本发明涉及具有5HT4拮抗性质的式(I)的新化合物。该发明还涉及制备这种新化合物的方法，包括这些新化合物的药用组合物以及这些化合物作为药物的用途。
• [EN] HYDROXYCARBONYLPHENYL SUBSTITUTED 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES AS 5HT4-ANTAGONISTS<br/>[FR] 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES SUBSTITUES PAR HYDROXYCARBONYLPHENYLE, UTILISES COMME ANTAGONISTES DES RECEPTEURS 5HT4
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2005003121A1

  公开（公告）日：2005-01-13

  The present invention is concerned with novel compounds of formula (I) having 5HT4-antagonistic properties. The invention further relates to methods for preparing such novel compounds, pharmaceutical compositions comprising said novel compounds as well as the use as a medicine of said compounds.

  本发明涉及具有5HT4拮抗性质的式(I)的新化合物。该发明还涉及制备这种新化合物的方法，包括该新化合物的药物组合物以及该化合物的药用。
• Hydroxycarbonylphenyl substituted 4-(aminomethyl)-piperidine benzamides as 5ht4 antagonists
  申请人：Bosmans Rene Marie Andre Jean-Paul

  公开号：US20060142340A1

  公开（公告）日：2006-06-29

  The present invention is concerned with novel compounds of formula (I) having 5HT 4 -antagonistic properties. The invention further relates to methods for preparing such novel compounds, pharmaceutical compositions comprising said novel compounds as well as the use as a medicine of said compounds.

  本发明涉及具有5HT4拮抗性质的式（I）新化合物。本发明还涉及制备这些新化合物的方法，包含这些新化合物的药物组合物，以及这些化合物作为药物的用途。