4-(2-fluoro-4-nitrophenyl)-[1,4]oxazepane | 918137-42-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-(2-fluoro-4-nitrophenyl)-[1,4]oxazepane
• 英文别名: 4-(2-Fluoro-4-nitrophenyl)-1,4-oxazepane
• CAS: 918137-42-5
• 化学式: C₁₁H₁₃FN₂O₃
• 分子量: 240.234
• InChiKey: ZOIJVHWQAOEUII-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  58.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-(2-fluoro-4-nitrophenyl)-[1,4]oxazepane 在 氢气 、 lithium trifluoromethanesulfonate 作用下， 以 四氢呋喃 、 叔丁醇 为溶剂， 70.0 ℃ 、344.75 kPa 条件下， 生成
  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：

  3,4-二氟硝基苯 、 盐酸高吗啉 在 N,N-二异丙基乙胺 作用下， 以 N-甲基吡咯烷酮 为溶剂， 生成 4-(2-fluoro-4-nitrophenyl)-[1,4]oxazepane
  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

文献信息

• HOMOMORPHOLINE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS
  申请人：Pharmacia & Upjohn Company LLC

  公开号：EP1899331B1

  公开（公告）日：2009-11-25
• [EN] HOMOMORPHOLINE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS<br/>[FR] OXAZOLIDINONES D'HOMOMORPHOLINE EN TANT QU'AGENTS ANTIBACTERIENS
  申请人：PHARMACIA & UPJOHN CO LLC

  公开号：WO2007000644A1

  公开（公告）日：2007-01-04

  [EN] The present invention provides a compound of formula (I) or a pharmaceutically acceptable salt thereof wherein X is -C(=O)NHR⁴, or CH₂-het; R¹, R², R³ are independently H or F; R⁴ is H, C_1-6 alkyl, or OC_1-6alkyl; het is a five (5)-membered heterocyclic ring having 1, 2 or 3 heteroatoms selected from the group consisting of non-peroxide oxygen, sulfur, and nitrogen within the ring. The compounds of the present are useful as antibacterial agents.
  [FR] La présente invention a trait à un composé de formule (I) dans laquelle: X est -C(=O)NHR⁴, ou CH₂-het; R¹, R², R³ sont indépendamment H ou F; R4 est H, alkyle en C₁-C₆, ou OC_1-6alkyle; het est un noyau hétérocyclique à cinq chaînons ayant 1, 2, 3 hétéroatomes choisis parmi le groupe constitué d'oxygène non peroxyde, de soufre, et d'azote dans le noyau, ou un sel pharmaceutiquement acceptable de celui-ci. Les composés de la présente invention sont utiles en tant qu'agents antibactériens.
• Synthesis and structure–activity studies of novel homomorpholine oxazolidinone antibacterial agents
  作者：Ji-Young Kim、Frederick E. Boyer、Allison L. Choy、Michael D. Huband、Paul J. Pagano、J.V.N. Vara Prasad

  DOI：10.1016/j.bmcl.2008.02.052

  日期：2009.1

  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.