1-苄基-4-苯基哌啶-4-甲醛 | 26979-21-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 1-苄基-4-苯基哌啶-4-甲醛
• 英文名称: 1-Benzyl-4-phenyl-4-formyl-piperidin
• 英文别名: 1-benzyl-4-phenyl-piperidine-4-carbaldehyde；4-Piperidinecarboxaldehyde, 1-benzyl-4-phenyl-；1-benzyl-4-phenylpiperidine-4-carbaldehyde
• CAS: 26979-21-5
• 化学式: C₁₉H₂₁NO
• 分子量: 279.382
• InChiKey: ZBQJTCFWWZXZBG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  1-苄基-4-苯基哌啶-4-甲醛 在 palladium dihydroxide 甲烷磺酸 、 3,5-dibromohydantoin 、 甲酸铵 、 sodium hydride 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 为溶剂， 反应 3.0h， 生成 Tert-butyl 4-(4-bromophenyl)-4-(3-methoxy-3-oxopropyl)piperidine-1-carboxylate
  参考文献：
  名称：

  Synthesis and structure–activity relationships of piperidine-based melanin-concentrating hormone receptor 1 antagonists

  摘要：

  Isosteric replacement of the urea group of lead compound 1 led to novel substituted piperidine phenylamide analogues. SAR on the electron-induced effects of various linkers as well as substituents on the phenyl rings and the piperidine nitrogen has been investigated. Many single-digit nanomolar MCH R1 antagonists have been identified from this series. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.04.061
• 作为产物：
  描述：

  1-苄基-4-氰基-4-苯基哌啶盐酸盐 在 二异丁基氢化铝 作用下， 以 二氯甲烷 为溶剂， 以48%的产率得到1-苄基-4-苯基哌啶-4-甲醛
  参考文献：
  名称：

  Synthesis and structure–activity relationships of piperidine-based melanin-concentrating hormone receptor 1 antagonists

  摘要：

  Isosteric replacement of the urea group of lead compound 1 led to novel substituted piperidine phenylamide analogues. SAR on the electron-induced effects of various linkers as well as substituents on the phenyl rings and the piperidine nitrogen has been investigated. Many single-digit nanomolar MCH R1 antagonists have been identified from this series. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.04.061

文献信息

• Novel bicyclic pyrimidin-5-one derivatives
  申请人：JANSSEN PHARMACEUTICA N.V.

  公开号：EP0070053B1

  公开（公告）日：1986-04-16
• Synthesis and structure–activity relationships of piperidine-based melanin-concentrating hormone receptor 1 antagonists
  作者：Wen-Lian Wu、Duane A. Burnett、Richard Spring、Li Qiang、Thavalakulamgara K. Sasikumar、Martin S. Domalski、William J. Greenlee、Kim O’Neill、Brian E. Hawes

  DOI：10.1016/j.bmcl.2006.04.061

  日期：2006.7

  Isosteric replacement of the urea group of lead compound 1 led to novel substituted piperidine phenylamide analogues. SAR on the electron-induced effects of various linkers as well as substituents on the phenyl rings and the piperidine nitrogen has been investigated. Many single-digit nanomolar MCH R1 antagonists have been identified from this series. (c) 2006 Elsevier Ltd. All rights reserved.