Tert-butyl 4-[(4-nitrophenoxy)carbonyl-(3-oxopropyl)amino]piperidine-1-carboxylate | 280141-27-7

• 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: Tert-butyl 4-[(4-nitrophenoxy)carbonyl-(3-oxopropyl)amino]piperidine-1-carboxylate
• CAS: 280141-27-7
• 化学式: C₂₀H₂₇N₃O₇
• 分子量: 421.45
• InChiKey: ZFKDBAIOPFBGPI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  122
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  C.I.酸性橙108 、 Tert-butyl 4-[(4-nitrophenoxy)carbonyl-(3-oxopropyl)amino]piperidine-1-carboxylate 在 三乙酰氧基硼氢化钠 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 14.5h， 生成
  参考文献：
  名称：

  SUBSTITUTED OXIMES AND HYDRAZONES AS NEUROKININ ANTAGONISTS

  摘要：

  公开号：

  EP1144402B1
• 作为产物：
  描述：

  tert-butyl 4-[(3-hydroxypropyl)amino]piperidine-1-carboxylate 在 2,2,6,6-tetramethyl-piperidine-N-oxyl 、 sodium hypochlorite 、 碳酸氢钠 、 sodium bromide 作用下， 生成 Tert-butyl 4-[(4-nitrophenoxy)carbonyl-(3-oxopropyl)amino]piperidine-1-carboxylate
  参考文献：
  名称：

  Preparation of oxime dual NK1/NK2 antagonists with reduced NK3 affinity

  摘要：

  By employing a stereo simplification approach, a thorough SAR exploration of the piperidine region of Sch 206272 was possible through a practical and efficient synthesis of substituted cyclic ureas. This SAR study led to the identification of a benzimidazolinone series of compounds which display single digit nanomolar NK1/NK2 affinity and near micromolar binding for the NK3 receptor. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00462-6

文献信息

• SUBSTITUTED OXIMES AND HYDRAZONES AS NEUROKININ ANTAGONISTS
  申请人：SCHERING CORPORATION

  公开号：EP1144402B1

  公开（公告）日：2004-09-22
• Preparation of oxime dual NK1/NK2 antagonists with reduced NK3 affinity
  作者：Gregory A Reichard、Cheryl A Grice、Neng-Yang Shih、James Spitler、Sapna Majmundar、Steven D Wang、Sunil Paliwal、John C Anthes、John J Piwinski

  DOI：10.1016/s0960-894x(02)00462-6

  日期：2002.9

  By employing a stereo simplification approach, a thorough SAR exploration of the piperidine region of Sch 206272 was possible through a practical and efficient synthesis of substituted cyclic ureas. This SAR study led to the identification of a benzimidazolinone series of compounds which display single digit nanomolar NK1/NK2 affinity and near micromolar binding for the NK3 receptor. (C) 2002 Elsevier Science Ltd. All rights reserved.