(5R)-3-[3-fluoro-4-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one | 465520-06-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: (5R)-3-[3-fluoro-4-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
• CAS: 465520-06-3
• 化学式: C₂₀H₂₁F₂N₃O₃
• 分子量: 389.402
• InChiKey: PJXPMTMZMLTCHT-QGZVFWFLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  56.2
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (5R)-3-[3-fluoro-4-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one 在 氨 、 三乙胺 作用下， 以 甲醇 为溶剂， 反应 2.0h， 生成 N-[[(5S)-3-[3-fluoro-4-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
  参考文献：
  名称：

  Synthesis and antibacterial activity of linezolid analogues

  摘要：

  Several new compounds of oxazolidinone class were designed and synthesized referring to the structure-activity relationship studies and the synthesis of Linezolid, and their antibacterial activity was studied. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00043-4
• 作为产物：
  描述：

  3,4-二氟硝基苯 在 palladium on activated charcoal 正丁基锂 、 ammonium formate 、 碳酸氢钠 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 甲醇 、 正己烷 为溶剂， 生成 (5R)-3-[3-fluoro-4-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
  参考文献：
  名称：

  Synthesis and antibacterial activity of linezolid analogues

  摘要：

  Several new compounds of oxazolidinone class were designed and synthesized referring to the structure-activity relationship studies and the synthesis of Linezolid, and their antibacterial activity was studied. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00043-4

文献信息

• Synthesis and antibacterial activity of linezolid analogues
  作者：Du Yu、Guo Huiyuan

  DOI：10.1016/s0960-894x(02)00043-4

  日期：2002.3

  Several new compounds of oxazolidinone class were designed and synthesized referring to the structure-activity relationship studies and the synthesis of Linezolid, and their antibacterial activity was studied. (C) 2002 Elsevier Science Ltd. All rights reserved.