1-O-benzyl 2-O-tert-butyl 5-[2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1,2,5-triazepane-1,2-dicarboxylate | 952150-16-2

• 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: 1-O-benzyl 2-O-tert-butyl 5-[2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1,2,5-triazepane-1,2-dicarboxylate
• CAS: 952150-16-2
• 化学式: C₂₈H₃₇FN₄O₆
• 分子量: 544.623
• InChiKey: VUTNABWPKUKKTQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  39
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  101
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  1-O-benzyl 2-O-tert-butyl 5-[2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1,2,5-triazepane-1,2-dicarboxylate 在 palladium 10% on activated carbon 吡啶 、 正丁基锂 、 水 、 氢气 、 甲基磺酰氯 、 三乙胺 、 三苯基膦 作用下， 以 四氢呋喃 、 乙醇 、 正己烷 、 二氯甲烷 为溶剂， 反应 117.0h， 生成 5(S)-(acetylaminomethyl)-3-(3-fluoro-4-(1-(tertbutoxycarbonyl)[1,2,5]triazepan-5-yl)phenyl)oxazolidin-2-one
  参考文献：
  名称：

  EP2208729

  摘要：

  公开号：
• 作为产物：
  描述：

  1-O-benzyl 2-O-tert-butyl 5-(2-fluoro-4-nitrophenyl)-1,2,5-triazepane-1,2-dicarboxylate 在 tin(II) chloride dihdyrate 、 sodium carbonate 作用下， 以 乙醇 为溶剂， 反应 19.0h， 生成 1-O-benzyl 2-O-tert-butyl 5-[2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1,2,5-triazepane-1,2-dicarboxylate
  参考文献：
  名称：

  EP2208729

  摘要：

  公开号：

文献信息

• Antimicrobial compounds
  申请人：Research Foundation Itsuu Laboratory

  公开号：EP2181994A1

  公开（公告）日：2010-05-05

  A compound of the formula: or a pharmaceutically acceptable salt or solvate thereof, wherein Y1 is NP2 or O; P1 and P2 are independently hydrogen, acyl group or an amino protecting group; R11 is hydrogen, acyl group or an amino protecting group, provided that -CO(CH2)3-CO2H, -Ph and -CH2Ph (Ph: phenyl) are excluded.

  式中的化合物： 或其药学上可接受的盐或溶液、 其中 Y1 是 NP2 或 O P1 和 P2 独立地为氢、酰基或氨基保护基团； R11 是氢、酰基或氨基保护基团，但不包括-CO(CH2)3-CO2H、-Ph 和 - Ph（Ph：苯基）。
• Oxazolidinone derivatives having a 7-membered heterocyclic ring
  申请人：Research Foundation Itsuu Laboratory

  公开号：EP2233484A2

  公开（公告）日：2010-09-29

  The present invention provides a compound of the formula: or a pharmaceutically acceptable salt or solvate thereof wherein Y1 is NRa, O, S, SO or SO2; Ring B is optionally substituted carbocycle or optionally substituted heterocycle.

  本发明提供了一种式化合物： 或其药学上可接受的盐或溶液 其中 Y1 是 NRa、O、S、SO 或 SO2； 环 B 是任选取代的碳环或任选取代的杂环。
• NOVEL COMPOUND HAVING HETEROCYCLIC RING
  申请人：Research Foundation Itsuu Laboratory

  公开号：EP2009012B1

  公开（公告）日：2014-06-25
• Novel Compound Having Heterocyclic Ring
  申请人：Suzuki Hideyuki

  公开号：US20090299059A1

  公开（公告）日：2009-12-03

  The invention provides a novel oxazolidinone derivative represented by the formula (I): wherein Ring A is optionally substituted or fused and represents (A-1) at least 7-membered monocyclic hetero ring containing at least three N atoms; (A-2) at least 6-membered monocyclic hetero ring containing at least two N atoms and at least one O atom; or (A-3) at least 7-membered monocyclic hetero ring containing at least two N atoms and at least one S atom; X 1 is a single bond, —O—, —S—, —NR 2 —, —CO—, —CS—, —CONR 3 —, —NR 4 CO—, —SO 2 NR 5 —, and —NR 6 SO 2 — (wherein R 2 -R 6 are independently hydrogen or lower alkyl), or lower alkylene or lower alkenylene in which one of the preceding groups may intervene; Ring B is optionally substituted carbocycle or optionally substituted heterocycle; R 1 is hydrogen, or an organic residue which is able to bind to the 5-position of oxazolidinone ring in oxazolidinone antimicrobial agent, and an antibacterial agent containing the same.
• OXAZOLIDINONE DERIVATIVE HAVING 7-MEMBERED HETERO RING
  申请人：Suzuki Hideyuki

  公开号：US20100256355A1

  公开（公告）日：2010-10-07

  The present invention provides a novel oxazolidinone derivative of the formula (I): wherein Ring A is (A-1) a 7-membered monocyclic heterocycle containing three N atoms; (A-2) a 7-membered monocyclic heterocycle containing two N atoms and one O atom; or (A-3) a 7-membered monocyclic heterocycle containing two N atoms and one S atom, SO or SO 2 , wherein said monocyclic heterocycle is optionally substituted, optionally unsaturated and optionally fused with another ring; X 1 is a single bond, or a heteroatom-containing group selected from the group consisting of —O—, —S—, —NR 2 —, —CO—, —CS—, —CONR 3 —, —NR 4 CO—, —SO 2 NR 5 —, and —NR 6 SO 2 —, wherein R 2 , R 3 , R 4 , R 5 and R 6 are independently hydrogen or lower alkyl, or lower alkylene or lower alkenylene each optionally interrupted by said heteroatom-containing group; Ring B is optionally substituted carbocycle or optionally substituted heterocycle; and R 1 is hydrogen, or an organic residue which is able to bind to the 5 -position of the oxazolidinone ring in oxazolidinone antimicrobial agents, pharmaceutically acceptable salts and solvates thereof which are useful as an antibacterial agent.