2-[1-[(1,1-Dimethylethoxy)carbonyl]-4-piperidinyl]-6-methyl-3-pyridinecarboxylic acid | 521302-70-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-[1-[(1,1-Dimethylethoxy)carbonyl]-4-piperidinyl]-6-methyl-3-pyridinecarboxylic acid
• 英文别名: 6-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyridine-3-carboxylic acid
• CAS: 521302-70-5
• 化学式: C₁₇H₂₄N₂O₄
• 分子量: 320.389
• InChiKey: RWNRHDULBGUVDX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  79.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-[1-[(1,1-Dimethylethoxy)carbonyl]-4-piperidinyl]-6-methyl-3-pyridinecarboxylic acid 在 盐酸 、 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 三乙胺 作用下， 以 1,4-二氧六环 、 乙腈 为溶剂， 生成
  参考文献：
  名称：

  The Bohlmann–Rahtz route to functionalised pyridine scaffolds and their use in library synthesis

  摘要：

  The Bohlmann-Rahtz reaction has been used to prepare 2,3,6-trisubstituted pyridines suitable for use in library synthesis. The synthesis of piperidine substituted nicotinic acid derivative 9 has been optimised and carried out on a large scale to give ca. 500 g of scaffold which was used in the generation of the pyridine library 11. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)00034-0
• 作为产物：
  描述：

  N-BOC-4-(2-乙氧羰基乙酰基)哌啶 在 乙酸铵 、 sodium hydroxide 作用下， 以 甲醇 、 乙醇 为溶剂， 生成 2-[1-[(1,1-Dimethylethoxy)carbonyl]-4-piperidinyl]-6-methyl-3-pyridinecarboxylic acid
  参考文献：
  名称：

  The Bohlmann–Rahtz route to functionalised pyridine scaffolds and their use in library synthesis

  摘要：

  The Bohlmann-Rahtz reaction has been used to prepare 2,3,6-trisubstituted pyridines suitable for use in library synthesis. The synthesis of piperidine substituted nicotinic acid derivative 9 has been optimised and carried out on a large scale to give ca. 500 g of scaffold which was used in the generation of the pyridine library 11. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)00034-0