1-Benzyl-3-isopropyl-piperidin-4-one | 373604-07-0

• 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-Benzyl-3-isopropyl-piperidin-4-one
• 英文别名: 1-benzyl-3-propan-2-ylpiperidin-4-one
• CAS: 373604-07-0
• 化学式: C₁₅H₂₁NO
• 分子量: 231.338
• InChiKey: KPGWIAGKEBGZDN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 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-Benzyl-3-isopropyl-piperidin-4-one 在 potassium carbonate 作用下， 以 乙醇 、 水 、 丙酮 为溶剂， 生成 1-(5-ethoxy-2-fluorophenyl)-3-isopropylpiperidin-4-one
  参考文献：
  名称：

  Optimization of physicochemical properties of pyrrolidine GPR40 AgoPAMs results in a differentiated profile with improved pharmacokinetics and reduced off-target activities

  摘要：

  DOI：

  10.1016/j.bmc.2023.117273
• 作为产物：
  描述：

  1-苄基-4-哌啶酮-3-羧酸乙酯 在 盐酸 、 potassium tert-butylate 作用下， 以 四氢呋喃 、 水 、 乙腈 为溶剂， 反应 16.0h， 生成 1-Benzyl-3-isopropyl-piperidin-4-one
  参考文献：
  名称：

  Optimization of physicochemical properties of pyrrolidine GPR40 AgoPAMs results in a differentiated profile with improved pharmacokinetics and reduced off-target activities

  摘要：

  DOI：

  10.1016/j.bmc.2023.117273

文献信息

• Antibacterial chiral 8-(substituted piperidino)-benzo [i,j] quinolizines, processes, compositions and methods of treatment
  申请人：WOCKHARDT RESEARCH CENTER

  公开号：US20020165227A1

  公开（公告）日：2002-11-07

  The present invention relates to optically pure 8-(substituted piperidino)-benzo[i,j]quinolizines, their isomers, derivatives, salts, pseudopolymorphs, polymorphs prodrugs and hydrates thereof, to processes for their preparation, and to pharmaceutical compositions comprising 8-(substituted piperidino)-benzo[i,j]quinolizines their isomers, derivatives, salts, pseudopolymorphs, polymorphs and hydrates thereof. These compounds and compositions possess potent activity in treating local and systemic infections, particularly infections caused by sensitive and resistant Gram-positive organism infections, Gram-negative organism infections, mycobacterial infections and nosocomial pathogens, and particularly those belonging to the staphylococcus, streptococcus and enterococcus groups. Methods for treating the diseases and disorders arising from the foregoing infections in humans and animals are described by administering the compounds of the invention to said humans and animals.

  本发明涉及光学纯的8-(取代哌啶基)-苯[i,j]喹啉，它们的异构体、衍生物、盐、伪多晶体、多晶体、前药和水合物，以及它们的制备方法和包含8-(取代哌啶基)-苯[i,j]喹啉、它们的异构体、衍生物、盐、伪多晶体、多晶体和水合物的药物组合物。这些化合物和组合物在治疗局部和全身感染方面具有强效活性，特别是对敏感和耐药革兰氏阳性菌感染、革兰氏阴性菌感染、分枝杆菌感染和医院感染病原体，特别是属于葡萄球菌、链球菌和肠球菌群的感染具有活性。通过将本发明的化合物用于人类和动物治疗上述感染引起的疾病和疾病的方法也被描述。
• Antibacterial chiral 8-(substituted piperidino)-benzo [i,j] quinolizines, processes, compositions and methods of treatment
  申请人：Wockhardt Limited

  公开号：US06608078B2

  公开（公告）日：2003-08-19

  The present invention relates to optically pure 8-(substituted piperidino)-benzo[i,j]quinolizines, their isomers, derivatives, salts, pseudopolymorphs, polymorphs prodrugs and hydrates thereof, to processes for their preparation, and to pharmaceutical compositions comprising 8-(substituted piperidino)-benzo[i,j]quinolizines their isomers, derivatives, salts, pseudopolymorphs, polymorphs and hydrates thereof. These compounds and compositions possess potent activity in treating local and systemic infections, particularly infections caused by sensitive and resistant Gram-positive organism infections, Gram-negative organism infections, mycobacterial infections and nosocomial pathogens, and particularly those belonging to the staphylococcus, streptococcus and enterococcus groups. Methods for treating the diseases and disorders arising from the foregoing infections in humans and animals are described by administering the compounds of the invention to said humans and animals.

  本发明涉及光学纯的8-（取代哌啶基）-苯并[i,j]喹啉，它们的异构体，衍生物，盐，伪多型，多型前药和水合物，以及它们的制备过程，以及包括8-（取代哌啶基）-苯并[i,j]喹啉，它们的异构体，衍生物，盐，伪多型，多型和水合物的制药组合物。这些化合物和组合物具有在治疗局部和全身感染方面的强效活性，特别是对于由敏感和耐药革兰氏阳性菌感染，革兰氏阴性菌感染，分枝杆菌感染和医院感染病原体引起的感染，特别是属于葡萄球菌，链球菌和肠球菌群的感染。通过将本发明的化合物用于人类和动物，可以描述用于治疗由上述感染引起的疾病和疾病的方法。
• Debenzylation using catalytic hydrogenolysis in trifluoroethanol, and the total synthesis of (−)-raumacline
  作者：Patrick D. Bailey、Mark A. Beard、Hoa P.T. Dang、Theresa R. Phillips、Richard A. Price、James H. Whittaker

  DOI：10.1016/j.tetlet.2008.01.104

  日期：2008.3

  N-Debenzylations using catalytic hydrogenolysis often fail to take place unless alcoholic solvents are used, but this can lead to N-alkylation as a side reaction; using trifluoroethanol as the solvent overcomes this problem, and leads to highly reliable hydrogenolyses for a wide range of substrates, including the final deprotection step in our total synthesis of (-)-raumacline. (c) 2008 Elsevier Ltd. All rights reserved.
• US6608078B2
  申请人：——

  公开号：US6608078B2

  公开（公告）日：2003-08-19
• [EN] ANTIBACTERIAL CHIRAL 8-(SUBSTITUTED PIPERIDINO)-BENZO [I, J] QUINOLIZINES, PROCESSES, COMPOSITIONS AND METHODS OF TREATMENT<br/>[FR] PIPERIDINO-BENZO [I, J] QUINOLIZINES A SUBSTITUTION DE PIPERIDINO EN 8 CHIRALES ANTIBACTERIENNES, PROCEDES, COMPOSITIONS ET METHODES DE TRAITEMENT
  申请人：SOUZA NOEL JOHN DE

  公开号：WO2001085728A2

  公开（公告）日：2001-11-15

  The present invention relates to optically pure 8-(substituted piperidino)-benzo [i,j] quinolizines, their isomers, derivatives, salts, pseudopolymorphs, polymorphs prodrugs and hydrates thereof, to processes for their preparation, and to pharmaceutical compositions comprising 8-(substituted piperidino)-benzo [i,j] quinolizines their isomers, derivatives, salts, pseudopolymorphs, polymorphs and hydrates thereof. These compounds and compositions possess potent activity in treating local and systemic infections, particularly infections caused by sensitive and resistant Gram-positive organism infections, Gram-negative organism infections, mycobacterial infections and nosocomial pathogens, and particularly those belonging to the staphylococcus, streptococcus and enterococcus groups. Methods for treating the diseases and disorders arising from the foregoing infections in humans and animals are described by administering the compounds of the invention to said humans and animals.