Ethyl 6-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyridine-3-carboxylate | 521302-67-0

• 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: Ethyl 6-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyridine-3-carboxylate
• 英文别名: ethyl 6-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyridine-3-carboxylate
• CAS: 521302-67-0
• 化学式: C₁₉H₂₈N₂O₄
• 分子量: 348.442
• InChiKey: DUEVTKNJWGOBSG-UHFFFAOYSA-N

物化性质

• 沸点：
  444.4±45.0 °C(Predicted)
• 密度：
  1.114±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  68.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Ethyl 6-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyridine-3-carboxylate 在 sodium hydroxide 、 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 三乙胺 作用下， 以 甲醇 、 乙腈 为溶剂， 生成 6-Methyl-3-[(pyridin-3-ylmethyl)-carbamoyl]-3',4',5',6'-tetrahydro-2'H-[2,4']bipyridinyl-1'-carboxylic acid tert-butyl ester
  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 作用下， 以 乙醇 为溶剂， 生成 Ethyl 6-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyridine-3-carboxylate
  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

文献信息

• The Bohlmann–Rahtz route to functionalised pyridine scaffolds and their use in library synthesis
  作者：Katherine E. Bashford、Matthew B. Burton、Stuart Cameron、Anthony L. Cooper、Rebecca D. Hogg、Peter D. Kane、David A. MacManus、Christopher A. Matrunola、Christopher J. Moody、Avril A.B. Robertson、Mark R. Warne

  DOI：10.1016/s0040-4039(03)00034-0

  日期：2003.2

  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.