tert-butyl 4-(4-chloro-2-fluorobenzyl)piperidine-1-carboxylate | 849766-52-5

• 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-chloro-2-fluorobenzyl)piperidine-1-carboxylate
• 英文别名: Tert-butyl 4-(4-chloro-2-fluorobenzyl)piperidine-1-carboxylate；tert-butyl 4-[(4-chloro-2-fluorophenyl)methyl]piperidine-1-carboxylate
• CAS: 849766-52-5
• 化学式: C₁₇H₂₃ClFNO₂
• 分子量: 327.827
• InChiKey: KZJORBAUTAZFKK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  tert-butyl 4-(4-chloro-2-fluorobenzyl)piperidine-1-carboxylate 在 盐酸 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 以100%的产率得到4-(4-Chloro-2-fluoro-benzyl)-piperidine
  参考文献：
  名称：

  The synthesis of substituted bipiperidine amide compounds as CCR3 antagonists

  摘要：

  Bipiperidine amide 1 has been identified as a CC chemokine receptor 3 (CCR3) antagonist. Optimization of its structure-activity relationship has resulted in the identification of cis (R,R)-4-[(3,4-dichlorophenyl)methyl]-3-hydroxymethyl-1'(6-quinolinyl-carbonyl)-1,4'-bipiperidine 14n, which exhibits potent receptor affinity and inhibition of both calcium flux and eosinophil chemotaxis. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.01.016
• 作为产物：
  描述：

  tert-butyl 4-(4-chloro-2-fluorobenzylidene)piperidine-1-carboxylate 在 三乙基硅烷 、 palladium 10% on activated carbon 作用下， 以 甲醇 为溶剂， 反应 0.25h， 以100%的产率得到tert-butyl 4-(4-chloro-2-fluorobenzyl)piperidine-1-carboxylate
  参考文献：
  名称：

  THERAPEUTIC COMPOUNDS

  摘要：

  本发明提供了式(I)的化合物及其药学上可接受的盐，其中m、n、W、X、Y、Z、R、R1、R2、R3和R4如规范中定义，用于治疗。

  公开号：

  US20130324576A1

文献信息

• [EN] SULFONYL PIPERIDINE DERIVATIVES AND THEIR USE FOR TREATING PROKINETICIN MEDIATED DISEASES<br/>[FR] DÉRIVÉS DE SULFONYLPIPÉRIDINE ET LEUR UTILISATION POUR LE TRAITEMENT DE MALADIES MÉDIÉES PAR UNE PROKINÉTICINE
  申请人：TAKEDA PHARMACEUTICAL

  公开号：WO2013179024A1

  公开（公告）日：2013-12-05

  The present invention provides compounds of formula (I) and pharmaceutically acceptable salts thereof : (I) in which m, n, W, X, Y, Z, R1, R2, R3 and R4 are as defined in the specification, for use in the treatment or prevention of a diseases o conition mediated by a prokineticin, such as psychiatric and neurological conitions.

  本发明提供了以下式（I）的化合物及其药学上可接受的盐：（I）其中m、n、W、X、Y、Z、R1、R2、R3和R4如规范中定义，用于治疗或预防由前动力素介导的疾病或状况，如精神疾病和神经病状。
• SULFONYL PIPERIDINE DERIVATIVES AND THEIR USE FOR TREATING PROKINETICIN MEDIATED DISEASES
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP2855449A1

  公开（公告）日：2015-04-08
• THERAPEUTIC COMPOUNDS
  申请人：Takeda Pharmaceutical Company Limited

  公开号：US20130324576A1

  公开（公告）日：2013-12-05

  The present invention provides compounds of formula (I) and pharmaceutically acceptable salts thereof in which m, n, W, X, Y, Z, R, R 1 , R 2 , R 3 and R 4 are as defined in the specification, for use in therapy.

  本发明提供了式(I)的化合物及其药学上可接受的盐，其中m、n、W、X、Y、Z、R、R1、R2、R3和R4如规范中定义，用于治疗。
• The synthesis of substituted bipiperidine amide compounds as CCR3 antagonists
  作者：Pauline C. Ting、Joe F. Lee、Jie Wu、Shelby P. Umland、Robert Aslanian、Jianhua Cao、Youhao Dong、Charles G. Garlisi、Eric J. Gilbert、Ying Huang、James Jakway、Joseph Kelly、Zhidan Liu、Stuart McCombie、Himanshu Shah、Fang Tian、Yuntao Wan、Neng-Yang Shih

  DOI：10.1016/j.bmcl.2005.01.016

  日期：2005.3

  Bipiperidine amide 1 has been identified as a CC chemokine receptor 3 (CCR3) antagonist. Optimization of its structure-activity relationship has resulted in the identification of cis (R,R)-4-[(3,4-dichlorophenyl)methyl]-3-hydroxymethyl-1'(6-quinolinyl-carbonyl)-1,4'-bipiperidine 14n, which exhibits potent receptor affinity and inhibition of both calcium flux and eosinophil chemotaxis. (c) 2005 Elsevier Ltd. All rights reserved.