Methyl 1-(2-methoxyphenyl)piperidine-4-carboxylate | 868854-95-9

• 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 1-(2-methoxyphenyl)piperidine-4-carboxylate
• 英文别名: methyl 1-(2-methoxyphenyl)piperidine-4-carboxylate
• CAS: 868854-95-9
• 化学式: C₁₄H₁₉NO₃
• 分子量: 249.31
• InChiKey: HPKSWDDFKXTLOH-UHFFFAOYSA-N

物化性质

• 沸点：
  362.1±37.0 °C(Predicted)
• 密度：
  1.116±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  38.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Methyl 1-(2-methoxyphenyl)piperidine-4-carboxylate 在 sodium hydroxide 作用下， 以 四氢呋喃 为溶剂， 生成 1-(2-methoxy-phenyl)-piperidine-4-carboxylic acid
  参考文献：
  名称：

  Synthesis of potent and selective serotonin 5-HT1B receptor ligands

  摘要：

  A series of serotonin 5-HT1B ligands were synthesized and evaluated for their potency and selectivity against other 5-HT receptor subtypes. Many of these new compounds displayed high affinity and selectivity for the 5-HT1B receptor and compound 6c was found to have the in vitro binding profile necessary for development as a PET radioligand. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.07.024
• 作为产物：
  描述：

  4-哌啶甲酸甲酯 、 2-溴苯甲醚 在 tetrakis(tris(2-methyl)phenyl)phosphinepalladium 、 sodium t-butanolate 作用下， 以 甲苯 为溶剂， 生成 Methyl 1-(2-methoxyphenyl)piperidine-4-carboxylate
  参考文献：
  名称：

  Synthesis of potent and selective serotonin 5-HT1B receptor ligands

  摘要：

  A series of serotonin 5-HT1B ligands were synthesized and evaluated for their potency and selectivity against other 5-HT receptor subtypes. Many of these new compounds displayed high affinity and selectivity for the 5-HT1B receptor and compound 6c was found to have the in vitro binding profile necessary for development as a PET radioligand. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.07.024

文献信息

• Synthesis of potent and selective serotonin 5-HT1B receptor ligands
  作者：Yiyun Huang、Sung-A Bae、Bryan L. Roth、Marc Laruelle

  DOI：10.1016/j.bmcl.2005.07.024

  日期：2005.11

  A series of serotonin 5-HT1B ligands were synthesized and evaluated for their potency and selectivity against other 5-HT receptor subtypes. Many of these new compounds displayed high affinity and selectivity for the 5-HT1B receptor and compound 6c was found to have the in vitro binding profile necessary for development as a PET radioligand. (c) 2005 Elsevier Ltd. All rights reserved.