n-butyl 2-(2-fluorobiphenyl-4-yl)acetate | 1264273-70-2

• 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: n-butyl 2-(2-fluorobiphenyl-4-yl)acetate
• 英文别名: butyl 2-(3-fluoro-4-phenylphenyl)acetate
• CAS: 1264273-70-2
• 化学式: C₁₈H₁₉FO₂
• 分子量: 286.346
• InChiKey: GRBHPAJXTXVJGU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  21
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-氟联苯-4-乙酸 以 正丁醇 为溶剂， 生成 n-butyl 2-(2-fluorobiphenyl-4-yl)acetate
  参考文献：
  名称：

  ISOTOPE LABELED 2-ARYLPROPIONIC ACID COMPOUNDS AND PROCESS FOR PRODUCTION OF SAME, AND MOLECULAR PROBE FOR POSITRON EMISSION TOMOGRAPHY AND METHOD FOR IMAGING OF CYCLOOXYGENASE AND THE LIKE USING SAME

  摘要：

  本发明涉及一种标记的非甾体抗炎药化合物，可在短时间内制备，适用于PET方法，并使环氧合酶-2成像；以及一种生产标记的非甾体抗炎药化合物的方法。具体公开的是同位素标记的2-芳基丙酸化合物，每种化合物均为通式（1）所表示的化合物（其中Ar代表可能具有取代基的芳基基团；R1代表选择自11CH3、CH218F和CF218F中的任意一种；R2代表氢原子或可能具有支链的烷基基团，其中排除Ar为苯环，R1为11CH3，R2为氢原子的化合物），或其药学上可接受的盐、水合物、溶剂物或前药。

  公开号：

  US20120128588A1

文献信息

• ISOTOPE LABELED 2-ARYLPROPIONIC ACID COMPOUNDS AND PROCESS FOR PRODUCTION OF SAME, AND MOLECULAR PROBE FOR POSITRON EMISSION TOMOGRAPHY AND METHOD FOR IMAGING OF CYCLOOXYGENASE AND THE LIKE USING SAME
  申请人：Takashima Misato

  公开号：US20120128588A1

  公开（公告）日：2012-05-24

  Disclosed are: labeled NSAIDs compounds which can be produced within a short time, can be used suitably for a PET method, and enable the imaging of cyclooxygenase-2; and a process for producing the labeled NSAIDs compounds. Specifically disclosed are isotope-labeled 2-arylpropionic acid compounds, each of which is a compound represented by general formula (1) (wherein Ar represents an aryl group which may have a substituent; R 1 represents anyone selected from 11 CH 3 , CH 2 18 F and CF 2 18 F; and R 2 represents a hydrogen atom, or an alkyl group which may have a branch, wherein a compound wherein Ar is a benzene ring, R 1 is 11 CH 3 , and R 2 is a hydrogen atom is excluded), or a pharmaceutically acceptable salt, hydrate, solvate or prodrug thereof.

  披露了：标记的NSAIDs化合物可以在短时间内生产，适用于PET方法，并能够成像环氧合酶-2；以及制备标记的NSAIDs化合物的方法。具体披露的是同位素标记的2-芳基丙酸化合物，每个化合物都是由通式（1）表示的化合物（其中Ar代表可能具有取代基的芳基；R1代表从11CH3、CH218F和CF218F中选择的任一种；R2代表氢原子，或可能具有支链的烷基，其中Ar为苯环，R1为11CH3，R2为氢原子的化合物被排除），或其药用可接受的盐、水合物、溶剂合物或前药。
• US8778298B2
  申请人：——

  公开号：US8778298B2

  公开（公告）日：2014-07-15
• Isotope labeled 2-arylpropionic acid compounds and process for production of same, and molecular probe for positron emission tomography and method for imaging of cyclooxygenase and the like using same
  申请人：Takashima Misato

  公开号：US08778298B2

  公开（公告）日：2014-07-15

  Disclosed are: labeled NSAIDs compounds which can be produced within a short time, can be used suitably for a PET method, and enable the imaging of cyclooxygenase-2; and a process for producing the labeled NSAIDs compounds. Specifically disclosed are isotope-labeled 2-arylpropionic acid compounds, each of which is a compound represented by general formula (1) (wherein Ar represents an aryl group which may have a substituent; R1 represents anyone selected from 11CH3, CH218F and CF218F; and R2 represents a hydrogen atom, or an alkyl group which may have a branch, wherein a compound wherein Ar is a benzene ring, R1 is 11CH3, and R2 is a hydrogen atom is excluded), or a pharmaceutically acceptable salt, hydrate, solvate or prodrug thereof.

  本发明公开了标记的非甾体抗炎药（NSAIDs）化合物，能够在短时间内生产，适用于PET方法，并能够成像环氧合酶-2；以及制备标记的NSAIDs化合物的方法。具体公开了同位素标记的2-芳基丙酸化合物，每个化合物都是由通式（1）表示的化合物（其中Ar代表可能具有取代基的芳基基团；R1代表从11CH3、CH218F和CF218F中选择的任何一个；而R2代表氢原子或可能具有支链的烷基基团，其中排除了Ar为苯环，R1为11CH3，R2为氢原子的化合物），或其药学上可接受的盐、水合物、溶剂合物或前药。