Tert-butyl 1,2-bis(2-fluoro-4-nitrophenyl)-1,2,5-triazepane-5-carboxylate | 952153-88-7

• 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: Tert-butyl 1,2-bis(2-fluoro-4-nitrophenyl)-1,2,5-triazepane-5-carboxylate
• 英文别名: tert-butyl 1,2-bis(2-fluoro-4-nitrophenyl)-1,2,5-triazepane-5-carboxylate
• CAS: 952153-88-7
• 化学式: C₂₁H₂₃F₂N₅O₆
• 分子量: 479.44
• InChiKey: JIPDBRCMQDYTFR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  34
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  128
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  Tert-butyl 1,2,5-triazepane-5-carboxylate 、 3,4-二氟硝基苯 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 14.0h， 以18%的产率得到Tert-butyl 1-(2-fluoro-4-nitrophenyl)-1,2,5-triazepane-5-carboxylate
  参考文献：
  名称：

  NOVEL COMPOUND HAVING HETEROCYCLIC RING

  摘要：

  公开号：

  EP2009012B1

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 -CH2Ph（Ph：苯基）。
• OXAZOLIDINONE DERIVATIVE HAVING 7-MEMBERED HETERO RING
  申请人：Research Foundation Itsuu Laboratory

  公开号：EP2208729A1

  公开（公告）日：2010-07-21

  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 SO2, wherein said monocyclic heterocycle is optionally substituted, optionally unsaturated and optionally fused with another ring; X1 is a single bond, or a heteroatom-containing group selected from the group consisting of -O-, -S-, -NR2-, -CO-, -CS-, -CONR3-, -NR4CO-, -SO2NR5-, and -NR6SO2-, wherein R2, R3, R4, R5 and R6 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 R1 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.

  本发明提供了一种式 (I) 的新型噁唑烷酮衍生物： 其中 环 A 是 (A-1) 包含三个 N 原子的 7 元单环杂环； (A-2) 含两个 N 原子和一个 O 原子的 7 元单环杂环；或 (A-3) 含两个 N 原子和一个 S 原子、SO 或 SO2 的 7 元单环杂环、 其中所述单环杂环可选被取代、可选不饱和、可选与另一个环融合； X1 是单键，或选自以下组成的含杂原子基团：-O-、-S-、-NR2-、-CO-、-CS-、-CONR3-、-NR4CO-、-SO2NR5- 和 -NR6SO2-，其中 R2、R3、R4、R5 和 R6 独立地为氢或低级烷基，或低级亚烷基或低级亚烯基，各自任选被所述含杂原子基团打断； 环 B 是任选取代的碳环或任选取代的杂环；以及 R1 是氢，或能够与噁唑烷酮抗菌剂中噁唑烷酮环的 5 位结合的有机残基、 可用作抗菌剂的其药学上可接受的盐和溶剂。
• 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.