4-(3-chloro-5-fluorobenzyl)piperidine | 849766-59-2

• 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: 4-(3-chloro-5-fluorobenzyl)piperidine
• 英文别名: 4-[(3-Chloro-5-fluorophenyl)methyl]piperidine
• CAS: 849766-59-2
• 化学式: C₁₂H₁₅ClFN
• 分子量: 227.709
• InChiKey: YHNUUJHOGWKUAE-UHFFFAOYSA-N

物化性质

• 沸点：
  304.5±32.0 °C(Predicted)
• 密度：
  1.156±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-(3-chloro-5-fluorobenzyl)piperidine 、 N-2'-toluoylacetamido-4-piperidone 在 三乙酰氧基硼氢化钠 、 溶剂黄146 作用下， 以 1,2-二氯乙烷 为溶剂， 生成 1-[4-(3-Chloro-5-fluoro-benzyl)-[1,4']bipiperidinyl-1'-yl]-2-o-tolyl-ethanone
  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：

  N-Boc-4-亚甲基哌啶 在 盐酸 、 9-borabicyclo[3.3.1]nonane dimer 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 二氯甲烷 为溶剂， 生成 4-(3-chloro-5-fluorobenzyl)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

文献信息

• WO2020154571A5
  申请人：——

  公开号：WO2020154571A5

  公开（公告）日：2023-02-02
• COMPOUNDS AND USES THEREOF
  申请人：Yumanity Therapeutics, Inc.

  公开号：EP3914593A1

  公开（公告）日：2021-12-01
• [EN] COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS ET LEURS UTILISATIONS
  申请人：YUMANITY THERAPEUTICS INC

  公开号：WO2020154571A1

  公开（公告）日：2020-07-30

  The present invention features compounds useful in the treatment of neurological disorders and primary brain cancer. The compounds of the invention, alone or in combination with other pharmaceutically active agents, can be used for treating or preventing neurological disorders and primary brain cancer.