(5RS)-3-(3,4-difluorophenyl)-5-isoxazol-3-yloxymethyl-4,5-dihydroisoxazole | 343784-81-6

• 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: (5RS)-3-(3,4-difluorophenyl)-5-isoxazol-3-yloxymethyl-4,5-dihydroisoxazole
• 英文别名: 3-[[3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-1,2-oxazole
• CAS: 343784-81-6
• 化学式: C₁₃H₁₀F₂N₂O₃
• 分子量: 280.231
• InChiKey: ITBZWHPJZWVCDM-UHFFFAOYSA-N

物化性质

• 沸点：
  399.4±52.0 °C(Predicted)
• 密度：
  1.46±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  56.8
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (5RS)-3-(3,4-difluorophenyl)-5-isoxazol-3-yloxymethyl-4,5-dihydroisoxazole 在 potassium carbonate 作用下， 以 吗啉 为溶剂， 生成 (5RS)-3-(3-Fluoro-4-morpholin-4-ylphenyl)-5-isoxazol-3-yloxymethyl-4,5-dihydroisoxazole
  参考文献：
  名称：

  SUBSTITUTED ISOXAZOLINES AND THEIR USE AS ANTIBACTERIAL AGENTS

  摘要：

  公开号：

  EP1242416B1
• 作为产物：
  描述：

  (5RS)-3-(3,4-difluorophenyl)-5-methanesulfonyloxymethyl-4,5-dihydroisoxazole 、 碳酸氢钠 、 异噁唑-3-酮 以 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 (5RS)-3-(3,4-difluorophenyl)-5-isoxazol-3-yloxymethyl-4,5-dihydroisoxazole
  参考文献：
  名称：

  SUBSTITUTED ISOXAZOLINES AND THEIR USE AS ANTIBACTERIAL AGENTS

  摘要：

  公开号：

  EP1242416B1

文献信息

• Substituted isoxazolines and their use as antibacterial agents
  申请人：Gravestock Barry Michael

  公开号：US20070281916A1

  公开（公告）日：2007-12-06

  Compounds of the formula (I), or a pharmaceutically-acceptable salt, or an in-vivo-hydrolysable ester thereof, wherein, for example, X is O, S or NH; HET is an optionally substituted C-linked 5-membered heteroaryl ring containing 2 to 4 heteroatoms independently selected from N, O and S; Q is selected from, for example, Q1 and Q2: R 2 and R 3 are independently hydrogen or fluoro; T is selected from a range of groups, for example, an N-linked (fully unsaturated) 5-membered heteroaryl ring system or a group of formula (TC5): wherein Rc is, for example, R 13 CO—, R 13 SO 2 — or R 13 CS—; wherein R 13 is, for example, optionally substituted ( 1 - 10 C)alkyl or R 14 C(O)O( 1 - 6 C)alkyl wherein R 14 is optionally substituted ( 1 - 10 C)alkyl; are useful as antibacterial agents; and processes for their manufacture and pharmaceutical compositions containing them are described.

  公式（I）的化合物，或其药学上可接受的盐，或其体内可水解的酯，其中，例如，X为O、S或NH；HET是一个含有2到4个从N、O和S中独立选择的杂原子的可选取代的C-连接的5元杂环芳基环；Q从Q1和Q2中选择，例如：R2和R3独立地为氢或氟；T从一系列基团中选择，例如，一个N-连接的（完全不饱和的）5元杂环芳基环系或一个公式（TC5）的基团：其中Rc是，例如，R13CO—、R13SO2—或R13CS—；其中R13是，例如，可选取代的（1-10C）烷基或R14C（O）O（1-6C）烷基，其中R14是可选取代的（1-10C）烷基；它们可用作抗菌剂；并且描述了制造它们的过程以及含有它们的制药组合物。
• US7081538B1
  申请人：——

  公开号：US7081538B1

  公开（公告）日：2006-07-25
• [EN] SUBSTITUTED ISOXAZOLINES AND THEIR USE AS ANTIBACTERIAL AGENTS<br/>[FR] ISOXAZOLINES SUBSTITUEES ET LEUR UTILISATION COMME AGENTS ANTIBACTERIENS
  申请人：ASTRAZENECA AB

  公开号：WO2001040222A1

  公开（公告）日：2001-06-07

  Compounds of formula (I), or a pharmaceutically-acceptable salt, or an in-vivo-hydrolysable ester thereof, wherein, for example, X is O, S or NH; HET is an optionally substituted C-linked 5-membered heteroaryl ring containing 2 to 4 heteroatoms independently selected from N, O and S; Q is selected from, for example, Q1 and Q2: R?2 and R3¿ are independently hydrogen or fluoro; T is selected from a range of groups, for example, an N-linked (fully unsaturated) 5-membered heteroaryl ring system or a group of formula (TC5): wherein Rc is, for example, R?13CO-, R13SO¿2-or R13CS-; wherein R13 is, for example, optionally substituted (1-10C)alkyl or R14C(O)O(1-6C)alkyl wherein R14 is optionally substituted (1-10C)alkyl; are useful as antibacterial agents; and processes for their manufacture and pharmaceutical compositions containing them are described.
• SUBSTITUTED ISOXAZOLINES AND THEIR USE AS ANTIBACTERIAL AGENTS
  申请人：AstraZeneca AB

  公开号：EP1242416B1

  公开（公告）日：2005-04-13