4-[1-phenyl-1-(5-(N-(9-fluorenylmethoxycarbonyl)azetidin-3-yl)-1,3,4-oxadiazol-2-yl)methylene]piperidine-1-carboxylic acid tert-butyl ester

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 4-[1-phenyl-1-(5-(N-(9-fluorenylmethoxycarbonyl)azetidin-3-yl)-1,3,4-oxadiazol-2-yl)methylene]piperidine-1-carboxylic acid tert-butyl ester
• 英文别名: tert-butyl 4-[[5-[1-(9H-fluoren-9-ylmethoxycarbonyl)azetidin-3-yl]-1,3,4-oxadiazol-2-yl]-phenylmethylidene]piperidine-1-carboxylate
• 化学式: C₃₇H₃₈N₄O₅
• 分子量: 618.733
• InChiKey: OBTQAFGDPURZCW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  46
• 可旋转键数：
  8
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  98
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  4-[1-phenyl-1-(5-(N-(9-fluorenylmethoxycarbonyl)azetidin-3-yl)-1,3,4-oxadiazol-2-yl)methylene]piperidine-1-carboxylic acid tert-butyl ester 、 1-庚硫醇 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 甲醇 、 HPLC(NH4OAc) 作用下， 以 四氢呋喃 为溶剂， 反应 18.0h， 以to afford the title compound (0.077 g, 74%) as a colorless solid的产率得到4-[1-phenyl-1-(5-(azetidin-3-yl)-1,3,4-oxadiazol-2-yl)methylene]piperidine-1-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides

  摘要：

  本发明提供具有药物和生物影响性质的化合物，它们的制药组合物和使用方法。特别地，本发明涉及具有独特的抗病毒活性的新型哌啶4-烯基衍生物。更具体地，本发明涉及用于治疗HIV和艾滋病的化合物。本发明的化合物通式I如下：其中：Z是Q是选自以下组的：—W—是

  公开号：

  US07915283B2
• 作为产物：
  描述：

  4-[1-phenyl-1-(2-(N-(9-fluorenylmethoxycarbonyl)-3-azetidinecarbonyl)-hydrazinocarbonyl)-methylene]-piperidine-1-carboxylic acid tert-butyl ester 在 六氯乙烷 、 N,N-二异丙基乙胺 、 三苯基膦 作用下， 以 乙腈 为溶剂， 以75%的产率得到4-[1-phenyl-1-(5-(N-(9-fluorenylmethoxycarbonyl)azetidin-3-yl)-1,3,4-oxadiazol-2-yl)methylene]piperidine-1-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  General synthesis of tetrasubstituted alkenyl-1,3,4-oxadiazoles

  摘要：

  Tetrasubstituted alkenyl-1,3,4-oxadiazoles were synthesized in moderate to excellent yield, under mild conditions and in the presence of sensitive functional groups, via the cyclization of diacylhydrazides using PPh3 and hexachloroethane in the presence of Hunig's base. An efficient one-pot acylation/cyclization approach for the conversion of acylhydrazides to 1,3,4-oxadiazoles is also described. The complexity of our substrate as well as the wide range of functional groups incorporated substantially broadens the scope of this methodology. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.11.057

文献信息

• INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES
  申请人：Wang Tao

  公开号：US20080188481A1

  公开（公告）日：2008-08-07

  This invention provides compounds having drug and bio-affecting properties, their pharmaceutical compositions and method of use. In particular, the invention is concerned with new piperidine 4-alkenyl derivatives that possess unique antiviral activity. More particularly, the present invention relates to compounds useful for the treatment of HIV and AIDS. The compounds of the invention for the general Formula I: wherein: Z is Q is selected from the group consisting of: —W— is

  本发明提供了具有药物和生物影响性质的化合物，它们的制药组合物和使用方法。具体而言，本发明涉及具有独特的抗病毒活性的新的哌啶4-烯基衍生物。更具体地，本发明涉及用于治疗HIV和艾滋病的化合物。本发明的化合物一般公式为I：其中：Z是Q是从以下组中选择的：-W-是
• US7348337B2
  申请人：——

  公开号：US7348337B2

  公开（公告）日：2008-03-25
• US7915283B2
  申请人：——

  公开号：US7915283B2

  公开（公告）日：2011-03-29
• Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides
  申请人：——

  公开号：US20040186292A1

  公开（公告）日：2004-09-23

  This invention provides compounds having drug and bio-affecting properties, their pharmaceutical compositions and method of use. In particular, the invention is concerned with new piperidine 4-alkenyl derivatives that possess unique antiviral activity. More particularly, the present invention relates to compounds useful for the treatment of HIV and AIDS. The compounds of the invention for the general Formula I: 1 wherein: Z is 2 Q is selected from the group consisting of: 3 —W— is 4

  这项发明提供了具有药物和生物影响特性的化合物，它们的药物组合物和使用方法。具体来说，该发明涉及具有独特抗病毒活性的新哌啶4-烯基衍生物。更具体地，本发明涉及用于治疗HIV和艾滋病的化合物。该发明的化合物为一般式I的化合物：其中：Z是，Q是从以下组中选择的：—W—是
• General synthesis of tetrasubstituted alkenyl-1,3,4-oxadiazoles
  作者：Clint A. James、Brigitte Poirier、Christiane Grisé、Alain Martel、Edward H. Ruediger

  DOI：10.1016/j.tetlet.2005.11.057

  日期：2006.1

  Tetrasubstituted alkenyl-1,3,4-oxadiazoles were synthesized in moderate to excellent yield, under mild conditions and in the presence of sensitive functional groups, via the cyclization of diacylhydrazides using PPh3 and hexachloroethane in the presence of Hunig's base. An efficient one-pot acylation/cyclization approach for the conversion of acylhydrazides to 1,3,4-oxadiazoles is also described. The complexity of our substrate as well as the wide range of functional groups incorporated substantially broadens the scope of this methodology. (c) 2005 Elsevier Ltd. All rights reserved.