(R)-3-((4-fluorobenzyl)oxy)pyrrolidine | 1208148-18-8

• 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: (R)-3-((4-fluorobenzyl)oxy)pyrrolidine
• 英文别名: (3R)-3-[(4-fluorophenyl)methoxy]pyrrolidine
• CAS: 1208148-18-8
• 化学式: C₁₁H₁₄FNO
• 分子量: 195.237
• InChiKey: NFRQMOAZTXAWGI-LLVKDONJSA-N

物化性质

• 沸点：
  274.7±35.0 °C(Predicted)
• 密度：
  1.12±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  21.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-(4-chlorophenyl)-1-(2-chlorophenyl)-4-cyanomethyl-1H-pyrazole-3-carboxylic acid 、 (R)-3-((4-fluorobenzyl)oxy)pyrrolidine 在 1-羟基苯并三唑 作用下， 以 二氯甲烷 为溶剂， 生成 2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-((R)-3-(4-fluorobenzyloxy)pyrrolidine-1-carbonyl)-1H-pyrazol-4-yl)acetonitrile
  参考文献：
  名称：

  Exploring SAR features in diverse library of 4-cyanomethyl-pyrazole-3-carboxamides suitable for further elaborations as CB1 antagonists

  摘要：

  A chemically diverse library of secondary and tertiary 4-cyanomethyl-1,5-diphenyl-1H-pyrazole-3-carboxamides was synthesized to enable mapping of the SAR, in the eastern amide region, with regard to CB1 antagonist activity, This study was initiated as a prelude to the design and synthesis of possible CB1 antagonists that do not readily pass the blood-brain-barrier. In general a range of modi. cations were found to be tolerated in this part of the molecule, although polar and especially charged groups did to a degree reduce the CB1 antagonistic activity. Several compounds with single-digit or even sub-nanomolar potency, suitable for further elaboration of the nitrile moiety, were identified. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.11.047
• 作为产物：
  描述：

  tert-butyl (R)-3-((4-fluorobenzyl)oxy)pyrrolidine-1-carboxylate 在 盐酸 作用下， 反应 1.5h， 以314 mg的产率得到(R)-3-((4-fluorobenzyl)oxy)pyrrolidine
  参考文献：
  名称：

  4-PYRIDONE COMPOUND OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION AND FORMULATION INCLUDING SAME

  摘要：

  本发明的一个目的是提供具有抗HBV活性的化合物或其盐、药物组合物、抗乙型肝炎病毒药剂、乙型肝炎病毒DNA合成抑制剂以及乙型肝炎表面抗原的合成或分泌抑制剂。根据本发明，提供了由通式[1]表示的化合物或其盐： （在式中，R 1 表示苯并噻唑基，可以被取代（其中构成R 1 苯并噻唑基的6元环的碳原子与吡啶酮环的氮原子结合）；R 2 表示可以被取代的C 2-6 烯基基团，或类似物；R 3 表示氢原子或类似物）。

  公开号：

  US20200017459A1

文献信息

• 4-pyridone compound or salt thereof, and pharmaceutical composition and formulation including same
  申请人：FUJIFILM Corporation

  公开号：US11161830B2

  公开（公告）日：2021-11-02

  An object of the present invention is to provide a compound or a salt thereof having anti-HBV activity, a pharmaceutical composition, an anti-hepatitis B virus agent, a production inhibitor of DNA of a hepatitis B virus, and a production or secretion inhibitor of a hepatitis B surface antigen. According to the present invention, provided are a compound represented by General Formula [1] or a salt thereof: (in the formula, R1 represents a benzothiazolyl group which may be substituted (in which a carbon atom constituting the 6-membered ring of the benzothiazolyl group of R1 is bonded to the nitrogen atom of the pyridone ring); R2 represents a C2-6 alkenyl group which may be substituted, or the like; and R3 represents a hydrogen atom or the like).

  本发明的目的是提供一种具有抗乙型肝炎病毒活性的化合物或其盐，一种药物组合物，一种抗乙型肝炎病毒制剂，一种乙型肝炎病毒DNA产生抑制剂，以及一种乙型肝炎表面抗原产生或分泌抑制剂。根据本发明，提供了通式[1]代表的化合物或其盐： (式中，R1 代表可能被取代的苯并噻唑基团（其中，构成 R1 苯并噻唑基团 6 元环的碳原子与吡啶酮环的氮原子键合）；R2 代表可能被取代的 C2-6 烯基或类似基团；R3 代表氢原子或类似基团）。
• 4-PYRIDONE COMPOUND OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION AND FORMULATION INCLUDING SAME
  申请人：FUJIFILM Corporation

  公开号：US20200017459A1

  公开（公告）日：2020-01-16

  An object of the present invention is to provide a compound or a salt thereof having anti-HBV activity, a pharmaceutical composition, an anti-hepatitis B virus agent, a production inhibitor of DNA of a hepatitis B virus, and a production or secretion inhibitor of a hepatitis B surface antigen. According to the present invention, provided are a compound represented by General Formula [1] or a salt thereof: (in the formula, R 1 represents a benzothiazolyl group which may be substituted (in which a carbon atom constituting the 6-membered ring of the benzothiazolyl group of R 1 is bonded to the nitrogen atom of the pyridone ring); R 2 represents a C 2-6 alkenyl group which may be substituted, or the like; and R 3 represents a hydrogen atom or the like).

  本发明的一个目的是提供具有抗HBV活性的化合物或其盐、药物组合物、抗乙型肝炎病毒药剂、乙型肝炎病毒DNA合成抑制剂以及乙型肝炎表面抗原的合成或分泌抑制剂。根据本发明，提供了由通式[1]表示的化合物或其盐： （在式中，R 1 表示苯并噻唑基，可以被取代（其中构成R 1 苯并噻唑基的6元环的碳原子与吡啶酮环的氮原子结合）；R 2 表示可以被取代的C 2-6 烯基基团，或类似物；R 3 表示氢原子或类似物）。
• Exploring SAR features in diverse library of 4-cyanomethyl-pyrazole-3-carboxamides suitable for further elaborations as CB1 antagonists
  作者：Martin Cooper、Jean-Marie Receveur、Emelie Bjurling、Pia K. Nørregaard、Peter Aadal Nielsen、Niklas Sköld、Thomas Högberg

  DOI：10.1016/j.bmcl.2009.11.047

  日期：2010.1

  A chemically diverse library of secondary and tertiary 4-cyanomethyl-1,5-diphenyl-1H-pyrazole-3-carboxamides was synthesized to enable mapping of the SAR, in the eastern amide region, with regard to CB1 antagonist activity, This study was initiated as a prelude to the design and synthesis of possible CB1 antagonists that do not readily pass the blood-brain-barrier. In general a range of modi. cations were found to be tolerated in this part of the molecule, although polar and especially charged groups did to a degree reduce the CB1 antagonistic activity. Several compounds with single-digit or even sub-nanomolar potency, suitable for further elaboration of the nitrile moiety, were identified. (C) 2009 Elsevier Ltd. All rights reserved.