tert-butyl 3-(((tert-butoxycarbonyl)amino)methyl)-4-(ethoxyimino)-3-methylpiperidine-1-carboxylate | 914988-89-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂环庚烷
• 英文名称: tert-butyl 3-(((tert-butoxycarbonyl)amino)methyl)-4-(ethoxyimino)-3-methylpiperidine-1-carboxylate
• CAS: 914988-89-9
• 化学式: C₁₉H₃₅N₃O₅
• 分子量: 385.504
• InChiKey: UNHCRRQQRSIGAB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.55
• 重原子数：
  27.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.84
• 拓扑面积：
  89.46
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  tert-butyl 3-(((tert-butoxycarbonyl)amino)methyl)-4-(ethoxyimino)-3-methylpiperidine-1-carboxylate 在 盐酸 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以98%的产率得到
  参考文献：
  名称：

  Synthesis and in vitro antibacterial activity of novel fluoroquinolone derivatives containing substituted piperidines

  摘要：

  We report herein the synthesis of novel 7-(4-alkoxyimino-3-aminomethyl-3-methylpiperidin-1-yl) fluoroquinolone derivatives. The antibacterial activity of the newly synthesized compounds was evaluated and correlated with their physicochemical properties. Results reveal that all of the target compounds have good potency in inhibiting the growth of Staphylococcus aureus and Staphylococcus epidermidis including MRSE (MIC: 0.125-4 mu g/mL). Compounds 12, 13 are more potent than or comparable to levofloxacin against MRSA, Streptococcus pyogenes, Escherichia coli, Klebsiella pneumoniae, and Shigella sonnei. Compound 17 is more active than or comparable to levofloxacin against S. aureus including MRSA, S. epidermidis and S. pyogenes. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.07.006
• 作为产物：
  描述：

  、 乙氧基胺盐酸盐 在 三乙胺 作用下， 以 甲醇 为溶剂， 反应 2.0h， 生成 tert-butyl 3-(((tert-butoxycarbonyl)amino)methyl)-4-(ethoxyimino)-3-methylpiperidine-1-carboxylate
  参考文献：
  名称：

  Synthesis and in vitro antibacterial activity of novel fluoroquinolone derivatives containing substituted piperidines

  摘要：

  We report herein the synthesis of novel 7-(4-alkoxyimino-3-aminomethyl-3-methylpiperidin-1-yl) fluoroquinolone derivatives. The antibacterial activity of the newly synthesized compounds was evaluated and correlated with their physicochemical properties. Results reveal that all of the target compounds have good potency in inhibiting the growth of Staphylococcus aureus and Staphylococcus epidermidis including MRSE (MIC: 0.125-4 mu g/mL). Compounds 12, 13 are more potent than or comparable to levofloxacin against MRSA, Streptococcus pyogenes, Escherichia coli, Klebsiella pneumoniae, and Shigella sonnei. Compound 17 is more active than or comparable to levofloxacin against S. aureus including MRSA, S. epidermidis and S. pyogenes. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.07.006