Methyl 3-[4-(4-bromophenyl)piperidin-4-yl]propanoate | 538324-30-0

• 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: Methyl 3-[4-(4-bromophenyl)piperidin-4-yl]propanoate
• CAS: 538324-30-0
• 化学式: C₁₅H₂₀BrNO₂
• 分子量: 326.233
• InChiKey: UCNAZMJWVLFGNN-UHFFFAOYSA-N

物化性质

• 沸点：
  386.2±37.0 °C(Predicted)
• 密度：
  1.277±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Methyl 3-[4-(4-bromophenyl)piperidin-4-yl]propanoate 在 四(三苯基膦)钯 、 正丁基锂 、 sodium carbonate 作用下， 以 四氢呋喃 、 甲醇 、 甲苯 为溶剂， 生成 Tert-butyl 4-[4-(3-cyanophenyl)phenyl]-4-[3-(3,4-difluoroanilino)-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 palladium dihydroxide 甲烷磺酸 、 3,5-dibromohydantoin 、 甲酸铵 、 sodium hydride 、 二异丁基氢化铝 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 为溶剂， 反应 3.0h， 生成 Methyl 3-[4-(4-bromophenyl)piperidin-4-yl]propanoate
  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

• US7511146B2
  申请人：——

  公开号：US7511146B2

  公开（公告）日：2009-03-31
• 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.