2-(2,4-Difluorophenyl)-2-[1-(pyridin-3-yl)ethyl]oxirane | 129793-84-6

• 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: 2-(2,4-Difluorophenyl)-2-[1-(pyridin-3-yl)ethyl]oxirane
• 英文别名: 3-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]pyridine
• CAS: 129793-84-6
• 化学式: C₁₅H₁₃F₂NO
• 分子量: 261.271
• InChiKey: LFXDYUXVNGDISD-UHFFFAOYSA-N

物化性质

• 沸点：
  352.5±42.0 °C(Predicted)
• 密度：
  1.280±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  25.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  三唑钠 、 2-(2,4-Difluorophenyl)-2-[1-(pyridin-3-yl)ethyl]oxirane 以 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 生成 2-(2,4-difluorophenyl)-3-(pyridin-3-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
  参考文献：
  名称：

  Triazole antifungal agents

  摘要：

  该发明提供了化学式为：##STR1##的抗真菌剂及其药用盐，其中R为苯基，可选择1至3个取代基，每个取代基独立选择自卤素和CF.sub.3；R.sup.1为C.sub.1 -C.sub.4烷基；R.sup.2为H或C.sub.1 -C.sub.4烷基；而与相邻碳原子连接的“Het”可选择自吡啶基、吡啶嗪基、嘧啶基、吡嗪基和三嗪基，“Het”可选择性地被C.sub.1 -C.sub.4烷基、C.sub.1 -C.sub.4烷氧基、卤素、CF.sub.3、CN、NO.sub.2、NH.sub.2、--NH(C.sub.1 -C.sub.4醇酰基)或--NHCO.sub.2(C.sub.1 -C.sub.4烷基)取代。

  公开号：

  US05116844A1
• 作为产物：
  描述：

  3-吡啶乙酸乙酯 在 sodium hydroxide 、 四丁基硫酸氢铵 作用下， 以 四氢呋喃 、 氯仿 、 水 为溶剂， 生成 2-(2,4-Difluorophenyl)-2-[1-(pyridin-3-yl)ethyl]oxirane
  参考文献：
  名称：

  Novel antifungal 2-aryl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol derivatives with high activity against Aspergillus fumigatus

  摘要：

  Replacement of one triazole ring of fluconazole with 4-pyridinyl leads to an increase in activity against Aspergillus fumigatus. Introduction of an alpha-methyl group has a marked additional beneficial effect. Investigation of pyridinyl and pyrimidinyl analogues resulted in the identification of 30 (UK-109,496, voriconazole) which has excellent potency against a broad range of fungal pathogens including A. fumigatus and Candida krusei. Copyright (C) 1996 Elsevier Science Ltd.

  DOI：

  10.1016/0960-894x(96)00363-0

文献信息

• US5116844A
  申请人：——

  公开号：US5116844A

  公开（公告）日：1992-05-26
• US5206364A
  申请人：——

  公开号：US5206364A

  公开（公告）日：1993-04-27
• US5364938A
  申请人：——

  公开号：US5364938A

  公开（公告）日：1994-11-15
• Triazole antifungal agents
  申请人：Pfizer Inc.

  公开号：US05116844A1

  公开（公告）日：1992-05-26

  The invention provides antifungal agents of the formula: ##STR1## and their pharmaceutically acceptable salts, wherein R is phenyl optionally substituted by 1 to 3 substituents each independently selected from halo and CF.sub.3 ; R.sup.1 is C.sub.1 -C.sub.4 alkyl; R.sup.2 is H or C.sub.1 -C.sub.4 alkyl; and "Het", which is attached to the adjacent carbon atom by a ring carbon atom, is selected from pyridinyl, pyridazinyl, pyrimidinyl, pyrazinyl and triazinyl, "Het" being optionally substituted by C.sub.1 -C.sub.4 alkyl, C.sub.1 -C.sub.4 alkoxy, halo, CF.sub.3, CN, NO.sub.2, NH.sub.2, --NH(C.sub.1 -C.sub.4 alkanoyl) or --NHCO.sub.2 (C.sub.1 -C.sub.4 alkyl).

  该发明提供了化学式为：##STR1##的抗真菌剂及其药用盐，其中R为苯基，可选择1至3个取代基，每个取代基独立选择自卤素和CF.sub.3；R.sup.1为C.sub.1 -C.sub.4烷基；R.sup.2为H或C.sub.1 -C.sub.4烷基；而与相邻碳原子连接的“Het”可选择自吡啶基、吡啶嗪基、嘧啶基、吡嗪基和三嗪基，“Het”可选择性地被C.sub.1 -C.sub.4烷基、C.sub.1 -C.sub.4烷氧基、卤素、CF.sub.3、CN、NO.sub.2、NH.sub.2、--NH(C.sub.1 -C.sub.4醇酰基)或--NHCO.sub.2(C.sub.1 -C.sub.4烷基)取代。
• Novel antifungal 2-aryl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol derivatives with high activity against Aspergillus fumigatus
  作者：Roger P. Dickinson、Andrew S. Bell、Christopher A. Hitchcock、Subramaniyan Narayanaswami、Stephen J. Ray、Kenneth Richardson、Peter F. Troke

  DOI：10.1016/0960-894x(96)00363-0

  日期：1996.8

  Replacement of one triazole ring of fluconazole with 4-pyridinyl leads to an increase in activity against Aspergillus fumigatus. Introduction of an alpha-methyl group has a marked additional beneficial effect. Investigation of pyridinyl and pyrimidinyl analogues resulted in the identification of 30 (UK-109,496, voriconazole) which has excellent potency against a broad range of fungal pathogens including A. fumigatus and Candida krusei. Copyright (C) 1996 Elsevier Science Ltd.