(R)-3-(3,5-difluoro-4-[1,4]oxazepan-4-yl-phenyl)-5-hydroxymethyl-oxazolidin-2-one | 1119568-83-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (R)-3-(3,5-difluoro-4-[1,4]oxazepan-4-yl-phenyl)-5-hydroxymethyl-oxazolidin-2-one
• 英文别名: (5R)-3-[3,5-difluoro-4-(1,4-oxazepan-4-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
• CAS: 1119568-83-0
• 化学式: C₁₅H₁₈F₂N₂O₄
• 分子量: 328.316
• InChiKey: CZCITBDIIJXKDH-LLVKDONJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  62.2
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (R)-3-(3,5-difluoro-4-[1,4]oxazepan-4-yl-phenyl)-5-hydroxymethyl-oxazolidin-2-one 在 2,6-二甲基吡啶 、 copper(l) iodide 、 sodium azide 、 三乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 生成 (R)-3-(3,5-difluoro-4-[1,4]oxazepan-4-yl-phenyl)-5-(4-trimethylsilanylethynyl-[1,2,3]triazol-1-ylmethyl)-oxazolidin-2-one
  参考文献：
  名称：

  Synthesis and structure–activity studies of novel homomorpholine oxazolidinone antibacterial agents

  摘要：

  A novel series of oxazolidinones were synthesized in which the morpholine C-ring of linezolid was replaced with homomorpholine. In addition to investigating the effect of a homomorpholine C-ring on antibacterial activity, the effect of des-, mono-, di-, and tri-fluoro substitution on the phenyl B-ring was investigated as well. Various C-5 functional groups were also examined, including acetamides and triazoles and carboxamides. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.02.052
• 作为产物：
  描述：

  3,5-difluoro-4-[1,4]oxazepan-4-yl-phenylamine 在 吡啶 、 正丁基锂 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 (R)-3-(3,5-difluoro-4-[1,4]oxazepan-4-yl-phenyl)-5-hydroxymethyl-oxazolidin-2-one
  参考文献：
  名称：

  Synthesis and structure–activity studies of novel homomorpholine oxazolidinone antibacterial agents

  摘要：

  A novel series of oxazolidinones were synthesized in which the morpholine C-ring of linezolid was replaced with homomorpholine. In addition to investigating the effect of a homomorpholine C-ring on antibacterial activity, the effect of des-, mono-, di-, and tri-fluoro substitution on the phenyl B-ring was investigated as well. Various C-5 functional groups were also examined, including acetamides and triazoles and carboxamides. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.02.052