1-(2-methoxy-phenyl)-piperidine-4-carboxylic acid | 607354-73-4

• 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: 1-(2-methoxy-phenyl)-piperidine-4-carboxylic acid
• 英文别名: 1-(2-Methoxyphenyl)piperidine-4-carboxylic acid
• CAS: 607354-73-4
• 化学式: C₁₃H₁₇NO₃
• 分子量: 235.283
• InChiKey: SOKCMUMZDVWXQX-UHFFFAOYSA-N

物化性质

• 沸点：
  417.6±40.0 °C(Predicted)
• 密度：
  1.188±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  49.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(2-methoxy-phenyl)-piperidine-4-carboxylic acid 在 氯化亚砜 作用下， 以 四氢呋喃 为溶剂， 生成 N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-1-(2-methoxyphenyl)piperidine-4-carboxamide
  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 在 sodium hydroxide 、 tetrakis(tris(2-methyl)phenyl)phosphinepalladium 、 sodium t-butanolate 作用下， 以 四氢呋喃 、 甲苯 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

文献信息

• Preparation of a Series of Aryl Isonipecotic Acids Using Microwave Irradiation
  作者：Schuyler Antane

  DOI：10.1081/scc-120021042

  日期：2003.7

  Rapid parallel synthesis of arylisonipecotic acids was achieved using microwave irradiation of a palladium catalyzed amination reaction.
• 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.