2-(4-Hydroxy-piperidin-1-yl)-benzoic acid methyl ester | 478059-35-7

• 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: 2-(4-Hydroxy-piperidin-1-yl)-benzoic acid methyl ester
• 英文别名: Methyl 2-(4-hydroxypiperidin-1-YL)benzoate；methyl 2-(4-hydroxypiperidin-1-yl)benzoate
• CAS: 478059-35-7
• 化学式: C₁₃H₁₇NO₃
• 分子量: 235.283
• InChiKey: YHKHJCNQZUONBK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 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：

  2-(4-Hydroxy-piperidin-1-yl)-benzoic acid methyl ester 在 N-甲基吲哚酮 、 四丙基高钌酸铵 作用下， 以 二氯甲烷 为溶剂， 生成 N-(2-Carbomethoxyphenyl)-4-piperidone
  参考文献：
  名称：

  Bradykinin B1 antagonists: SAR studies in the 2,3-diaminopyridine series

  摘要：

  SAR study of the biphenyl region of 2,3-diaminopyridine bradykinin B-1 antagonists was investigated with non-aromatic carbo- and heterocyclic rings. A piperidine ring was found to be a good replacement for the proximal phenyl ring while replacement of the distal phenyl was optimal with a cyclohexyl group leading to a dramatic improvement in affinity for the B-1 receptor. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.05.133
• 作为产物：
  描述：

  4-羟基哌啶 、 邻氟苯甲酸甲酯 在 potassium carbonate 作用下， 以 二甲基亚砜 为溶剂， 生成 2-(4-Hydroxy-piperidin-1-yl)-benzoic acid methyl ester
  参考文献：
  名称：

  Bradykinin B1 antagonists: SAR studies in the 2,3-diaminopyridine series

  摘要：

  SAR study of the biphenyl region of 2,3-diaminopyridine bradykinin B-1 antagonists was investigated with non-aromatic carbo- and heterocyclic rings. A piperidine ring was found to be a good replacement for the proximal phenyl ring while replacement of the distal phenyl was optimal with a cyclohexyl group leading to a dramatic improvement in affinity for the B-1 receptor. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.05.133

文献信息

• Bradykinin B1 antagonists: SAR studies in the 2,3-diaminopyridine series
  作者：Scott D. Kuduk、Ronald K. Chang、Christina Ng、Kathy L. Murphy、Richard W. Ransom、Cuyue Tang、Thomayant Prueksaritanont、Roger M. Freidinger、Douglas J. Pettibone、Mark G. Bock

  DOI：10.1016/j.bmcl.2005.05.133

  日期：2005.9

  SAR study of the biphenyl region of 2,3-diaminopyridine bradykinin B-1 antagonists was investigated with non-aromatic carbo- and heterocyclic rings. A piperidine ring was found to be a good replacement for the proximal phenyl ring while replacement of the distal phenyl was optimal with a cyclohexyl group leading to a dramatic improvement in affinity for the B-1 receptor. (c) 2005 Elsevier Ltd. All rights reserved.