(S)-4-Benzyl-piperazine-2-carboxylic acid | 1245649-47-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (S)-4-Benzyl-piperazine-2-carboxylic acid
• 英文别名: (S)-4-benzylpiperazine-2-carboxylic acid；(2S)-4-benzylpiperazine-2-carboxylic acid
• CAS: 1245649-47-1
• 化学式: C₁₂H₁₆N₂O₂
• 分子量: 220.271
• InChiKey: RBMNCOYMAYDTOP-NSHDSACASA-N

物化性质

• 沸点：
  389.0±42.0 °C(Predicted)
• 密度：
  1.196±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.5
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  52.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (S)-4-Benzyl-piperazine-2-carboxylic acid 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 生成 (S)-(4-苄基哌嗪-2-基)甲醇
  参考文献：
  名称：

  Enantiomerically pure 2-piperazinemethanols as novel chiral ligands of oxazaborolidine catalysts in enantioselective borane reductions

  摘要：

  Novel enantiomerically pure 2-piperazinemethanols (3-5) were synthesized from 2-piperazinecarboxylic acid 1. The asymmetric reduction of aromatic ketones, ketimine and oxime ether has been performed with reagents prepared from 2-piprazinemethanol and borane to yield enantiomerically enriched alcohols and amines, respectively. The preferred absolute configuration of the product was dependent on the structure of the sulfonyl substituent in the chiral ligand. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)01031-x
• 作为产物：
  描述：

  氯化苄 、 (S)-piperazine-2-carboxylic acid dihydrochloride 在 TEA 作用下， 生成 (S)-4-Benzyl-piperazine-2-carboxylic acid
  参考文献：
  名称：

  Enantiomerically pure 2-piperazinemethanols as novel chiral ligands of oxazaborolidine catalysts in enantioselective borane reductions

  摘要：

  Novel enantiomerically pure 2-piperazinemethanols (3-5) were synthesized from 2-piperazinecarboxylic acid 1. The asymmetric reduction of aromatic ketones, ketimine and oxime ether has been performed with reagents prepared from 2-piprazinemethanol and borane to yield enantiomerically enriched alcohols and amines, respectively. The preferred absolute configuration of the product was dependent on the structure of the sulfonyl substituent in the chiral ligand. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)01031-x

文献信息

• 2-Aminocarbonyl Substituted Piperazine or Diaza-Cyclic Compounds as Apoptosis Protein Inhibitors (Iap) Modulators
  申请人：Eckl Robert

  公开号：US20080207630A1

  公开（公告）日：2008-08-28

  The present invention relates to compounds of formula (I) or pharmaceutically acceptable salts, solvates, hydrates or pharmaceutically acceptable formulations thereof. These compounds may be used to modulate cellular proliferation and to prevent and/or treat proliferative diseases.

  本发明涉及式（I）的化合物或其药学上可接受的盐、溶剂化合物、水合物或药学上可接受的制剂。这些化合物可用于调节细胞增殖以及预防和/或治疗增生性疾病。
• 2 -AMINOCARBONYL SUBSTITUTED PIPERAZINE OR DIAZA-CYCLIC COMPOUNDS AS APOPTOSIS PROTEIN INHIBITOR (IAP) MODULATORS
  申请人：Novartis AG

  公开号：EP1874748A1

  公开（公告）日：2008-01-09
• [EN] 2 -AMINOCARBONYL SUBSTITUTED PIPERAZINE OR DIAZA-CYCLIC COMPOUNDS AS APOPTOSIS PROTEIN INHIBITOR (IAP) MODULATORS<br/>[FR] PIPERAZINE SUBSTITUEE PAR 2-AMINOCARBONYLE OU COMPOSES DIAZA-CYCLIQUES EN TANT QUE MODULATEURS D'INHIBITEUR DE PROTEINE APOPTOTIQUE (IAP)
  申请人：NOVARTIS AG

  公开号：WO2006113376A1

  公开（公告）日：2006-10-26

  [EN] The present invention relates to compounds of formula (I) or pharmaceutically acceptable salts, solvates, hydrates or pharmaceutically acceptable formulations thereof. These compounds may be used to modulate cellular proliferation and to prevent and/or treat proliferative diseases.
  [FR] La présente invention concerne des composés de formule (I) ou des sels, solvates, hydrates de ceux-ci, acceptables d'un point de vue pharmaceutique, ou des formulations de ceux-ci, acceptables d'un point de vue pharmaceutique. Ces composés peuvent être utilisés pour moduler la prolifération cellulaire et éviter et/ou traiter des maladies de prolifération.
• Enantiomerically pure 2-piperazinemethanols as novel chiral ligands of oxazaborolidine catalysts in enantioselective borane reductions
  作者：Tsutomu Inoue、Daisuke Sato、Kenichi Komura、Shinichi Itsuno

  DOI：10.1016/s0040-4039(99)01031-x

  日期：1999.7

  Novel enantiomerically pure 2-piperazinemethanols (3-5) were synthesized from 2-piperazinecarboxylic acid 1. The asymmetric reduction of aromatic ketones, ketimine and oxime ether has been performed with reagents prepared from 2-piprazinemethanol and borane to yield enantiomerically enriched alcohols and amines, respectively. The preferred absolute configuration of the product was dependent on the structure of the sulfonyl substituent in the chiral ligand. (C) 1999 Elsevier Science Ltd. All rights reserved.