4-Allyloxycarbonylamino-piperidine-1,4-dicarboxylic acid mono-tert-butyl ester | 495414-58-9

• 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: 4-Allyloxycarbonylamino-piperidine-1,4-dicarboxylic acid mono-tert-butyl ester
• 英文别名: 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(prop-2-enoxycarbonylamino)piperidine-4-carboxylic acid
• CAS: 495414-58-9
• 化学式: C₁₅H₂₄N₂O₆
• 分子量: 328.365
• InChiKey: TXEHHPMZGRSVNW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  23
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  105
• 氢给体数：
  2
• 氢受体数：
  6

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  3,5-双三氟甲基苯甲酰氯 、 4-氨基乙基联苯 、 4-Allyloxycarbonylamino-piperidine-1,4-dicarboxylic acid mono-tert-butyl ester 生成 8-[3,5-Bis(trifluoromethyl)benzoyl]-3-[(3-phenylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
  参考文献：
  名称：

  Parallel solution- and solid-Phase synthesis of spirohydantoin derivatives as neurokinin-1 receptor ligands

  摘要：

  The combination of the 3,5-bis(trifluoromethyl)phenyl group with a spirohydantoin motive as a central scaffold was the basis for the design of a combinatorial library targeted towards the neurokinin-1 receptor. A solution-and solid-phase procedure is described and binding affinities of representative compounds presented. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00488-2
• 作为产物：
  描述：

  1-t-叔丁氧羰基-哌啶-4-螺-5’-[1’,3’-二-t-叔丁氧羰基]海因 在 sodium hydroxide 、 sodium carbonate 作用下， 以 1,4-二氧六环 、 乙二醇二甲醚 为溶剂， 反应 36.0h， 生成 4-Allyloxycarbonylamino-piperidine-1,4-dicarboxylic acid mono-tert-butyl ester
  参考文献：
  名称：

  Parallel solution- and solid-Phase synthesis of spirohydantoin derivatives as neurokinin-1 receptor ligands

  摘要：

  The combination of the 3,5-bis(trifluoromethyl)phenyl group with a spirohydantoin motive as a central scaffold was the basis for the design of a combinatorial library targeted towards the neurokinin-1 receptor. A solution-and solid-phase procedure is described and binding affinities of representative compounds presented. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00488-2

文献信息

• Medicaments
  申请人：——

  公开号：US20040198756A1

  公开（公告）日：2004-10-07

  Piperidine derivatives and pharmaceutically acceptable derivatives thereof useful in methods of treatment of bacterial infections in mammals, particularly man.

  哌啶衍生物及其药学上可接受的衍生物，适用于治疗哺乳动物，尤其是人体细菌感染的方法。
• PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS
  申请人：SMITHKLINE BEECHAM PLC

  公开号：EP1419155A2

  公开（公告）日：2004-05-19
• [EN] MEDICAMENTS<br/>[FR] MEDICAMENTS
  申请人：SMITHKLINE BEECHAM PLC

  公开号：WO2003010138A2

  公开（公告）日：2003-02-06

  Piperidine derivatives (I) and pharmaceutically acceptable derivatives thereof useful in methods of treatment of bacterial infections in mammals, particularly man. Formula (I):