1-(4-bromophenethyl)piperidin-4-one

• 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: 1-(4-bromophenethyl)piperidin-4-one
• 英文别名: 1-[2-(4-Bromophenyl)ethyl]piperidin-4-one
• 化学式: C₁₃H₁₆BrNO
• 分子量: 282.18
• InChiKey: SERRCAUQSRSRJL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(4-bromophenethyl)piperidin-4-one 在 sodium azide 、 硫酸 作用下， 以 溶剂黄146 为溶剂， 以82%的产率得到1-(4-bromophenethyl)-1,4-diazepin-5-one
  参考文献：
  名称：

  Synthesis of N 1-alkyl-1,4-diazepin-5-ones via Schmidt ring expansion chemistry

  摘要：

  Reaction of 4-piperidone with alkyl bromides gave the corresponding N-alkyl-4-piperidones, and treatment of these with hydrazoic acid resulted in the Schmidt reaction to give the corresponding N-1-alkyl-1,4-diazepin-5-ones in good overall yields.

  DOI：

  10.1515/hc.2011.002
• 作为产物：
  描述：

  4-溴苯乙基溴 、 4-氧代哌啶酮盐酸盐 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以85%的产率得到1-(4-bromophenethyl)piperidin-4-one
  参考文献：
  名称：

  Synthesis of N 1-alkyl-1,4-diazepin-5-ones via Schmidt ring expansion chemistry

  摘要：

  Reaction of 4-piperidone with alkyl bromides gave the corresponding N-alkyl-4-piperidones, and treatment of these with hydrazoic acid resulted in the Schmidt reaction to give the corresponding N-1-alkyl-1,4-diazepin-5-ones in good overall yields.

  DOI：

  10.1515/hc.2011.002

文献信息

• SUBSTITUTED PIPERIDINE COMPOUNDS USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY
  申请人：AstraZeneca UK Limited

  公开号：EP1212299A1

  公开（公告）日：2002-06-12
• [EN] SUBSTITUTED PIPERIDINE COMPOUNDS USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY<br/>[FR] COMPOSES DE PIPERIDINE SUBSTITUES UTILES COMME MODULATEURS DE L'ACTIVITE DE RECEPTEURS DE CHIMIOKINE
  申请人：ASTRAZENECA UK LTD

  公开号：WO2001014333A1

  公开（公告）日：2001-03-01

  The invention provides compounds of formula (I) wherein R?1, R2, R3, R6¿, Z, Q, m, n, X?1, X2, X3, X4¿ and T are as defined in the specification, processes for their preparation, pharmaceutical compositions containing them, and their use in therapy, especially for the treatment of chemokine receptor related diseases and conditions.
• Synthesis of N 1-alkyl-1,4-diazepin-5-ones via Schmidt ring expansion chemistry
  作者：Morin Frick、Danielle McAtee、Jesse McAtee、Christina Wysoczynski、Partha S. Ray

  DOI：10.1515/hc.2011.002

  日期：2011.1.1

  Reaction of 4-piperidone with alkyl bromides gave the corresponding N-alkyl-4-piperidones, and treatment of these with hydrazoic acid resulted in the Schmidt reaction to give the corresponding N-1-alkyl-1,4-diazepin-5-ones in good overall yields.