Tert-butyl 4-(2-fluoro-4-nitrophenylamino)piperidine-1-carboxylate | 952285-81-3

• 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: Tert-butyl 4-(2-fluoro-4-nitrophenylamino)piperidine-1-carboxylate
• 英文别名: tert-butyl 4-(2-fluoro-4-nitroanilino)piperidine-1-carboxylate
• CAS: 952285-81-3
• 化学式: C₁₆H₂₂FN₃O₄
• mdl: MFCD09952122
• 分子量: 339.367
• InChiKey: BCJBWJAUOWWQSC-UHFFFAOYSA-N

物化性质

• 沸点：
  465.8±45.0 °C(Predicted)
• 密度：
  1.277±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.562
• 拓扑面积：
  87.4
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Tert-butyl 4-(2-fluoro-4-nitrophenylamino)piperidine-1-carboxylate 、 碘甲烷 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.5h， 以23%的产率得到tert-butyl 4-((2-fluoro-4-nitrophenyl)(methyl)amino)piperidine-1-carboxylate
  参考文献：
  名称：

  Synthesis and in vitro antibacterial activity of novel methylamino piperidinyl oxazolidinones

  摘要：

  Design and synthesis of a few novel methylamino piperidinyl substituted oxazolidinones are reported. Their antibacterial activities have been evaluated in a MIC assay against broader panel of both susceptible and resistant Gram-positive strains. (S)-N-{3-[3-Fluoro-4-(methyl-{1-[3-(5-nitrofuran-2-yl)-acryloyl]-piperidin-4-yl}-amino)-phenyl]-2-oxo-oxazolidin-5-ylmethyl}-acetamide 4i has shown comparable antibacterial activity to linezolid and eperezolid in the MIC assay, additionally compound 4i showed good antibacterial activity with an in vitro MIC value of 2-4 mu g/mL against linezolid resistant Staphylococcus aureus (linezolid >= 16 mu g/mL). (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.06.075
• 作为产物：
  描述：

  3,4-二氟硝基苯 、 1-Boc-4-氨基哌啶 以 乙腈 为溶剂， 反应 2.0h， 以76%的产率得到Tert-butyl 4-(2-fluoro-4-nitrophenylamino)piperidine-1-carboxylate
  参考文献：
  名称：

  Synthesis and in vitro antibacterial activity of novel methylamino piperidinyl oxazolidinones

  摘要：

  Design and synthesis of a few novel methylamino piperidinyl substituted oxazolidinones are reported. Their antibacterial activities have been evaluated in a MIC assay against broader panel of both susceptible and resistant Gram-positive strains. (S)-N-{3-[3-Fluoro-4-(methyl-{1-[3-(5-nitrofuran-2-yl)-acryloyl]-piperidin-4-yl}-amino)-phenyl]-2-oxo-oxazolidin-5-ylmethyl}-acetamide 4i has shown comparable antibacterial activity to linezolid and eperezolid in the MIC assay, additionally compound 4i showed good antibacterial activity with an in vitro MIC value of 2-4 mu g/mL against linezolid resistant Staphylococcus aureus (linezolid >= 16 mu g/mL). (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.06.075