ethyl 3-(2,3,4-trifluorophenyl)-3-oxopropanoate | 157766-27-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: ethyl 3-(2,3,4-trifluorophenyl)-3-oxopropanoate
• 英文别名: Ethyl (2,3,4-trifluorobenzoyl)acetate；Ethyl 3-oxo-3-(2,3,4-trifluorophenyl)propanoate
• CAS: 157766-27-3
• 化学式: C₁₁H₉F₃O₃
• 分子量: 246.186
• InChiKey: IUQMSOWINMALDV-UHFFFAOYSA-N

物化性质

• 沸点：
  285.3±35.0 °C(Predicted)
• 密度：
  1.319±0.06 g/cm3(Predicted)
• 溶解度：
  二氯甲烷、甲醇

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  ethyl 3-(2,3,4-trifluorophenyl)-3-oxopropanoate 在 氢氧化钾 、 乙酸酐 、 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 生成 (3S)-10-氟-2,3-二氢-3-甲基-7-氧代-7H-吡啶并[1,2,3-de]-1,4-苯并恶嗪-6-羧酸
  参考文献：
  名称：

  Synthesis and biological testing of non-Fluorinated analogues of levofloxacin

  摘要：

  Quinolones without the usual 6-fluorine substituent have been recently described as potent antibacterial agents. A series of non-fluorinated analogues of the antibacterial quinolone Levofloxacin were synthesized and tested. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00399-8
• 作为产物：
  描述：

  丙二酸单乙酯 、 2,3,4-三氟苯甲酰氯 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 以65%的产率得到ethyl 3-(2,3,4-trifluorophenyl)-3-oxopropanoate
  参考文献：
  名称：

  Synthesis and biological testing of non-Fluorinated analogues of levofloxacin

  摘要：

  Quinolones without the usual 6-fluorine substituent have been recently described as potent antibacterial agents. A series of non-fluorinated analogues of the antibacterial quinolone Levofloxacin were synthesized and tested. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00399-8

文献信息

• Novel compounds as metabotropic glutamate receptor antagonists
  申请人：McArthur Gatti Silvia

  公开号：US20070072879A1

  公开（公告）日：2007-03-29

  The present invention relates to compounds of formula (I) wherein A, E G, J, L, M, R 1 , R 2 , and R 3 are as defined in the specification and claims. The invention also relates to pharmaceutical compositions containing such compounds and methods for preparing the compounds and compositions. The compounds are metabotropic glutamate receptor antagonists and are useful for the treatment of a variety of CNS disorders.

  本发明涉及具有以下结构的化合物（I）其中A、E、G、J、L、M、R1、R2和R3如规范和索赔中所定义。该发明还涉及含有这种化合物的药物组合物以及制备这些化合物和组合物的方法。这些化合物是代谢型谷氨酸受体拮抗剂，可用于治疗各种中枢神经系统疾病。
• [EN] PYRRAZOLO-PYRIMIDINE DERIVATIVES<br/>[FR] DERIVES DE PYRRAZOLO-PYRIMIDINE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2005123738A1

  公开（公告）日：2005-12-29

  The invention relates to compounds of formula (I) wherein R1, R2, R3, R4, R5 and p are as defined in the description and claims as well as to pharmaceutically acceptable salts thereof per se and as pharmaceutically active substances, their manufacture, medicaments based on a compound in accordance with the invention and their production, as well as the use of the compounds in accordance with the invention in the control or prevention of illnesses of the aforementioned kind, and, respectively, for the production of corresponding medicaments.

  该发明涉及公式（I）中R1、R2、R3、R4、R5和p的化合物，其中这些参数在说明和权利要求中有定义，以及其药学上可接受的盐本身和作为药用活性物质，其制备方法，基于与该发明相符合的化合物的药物，以及它们的生产，以及在控制或预防上述疾病方面使用与该发明相符合的化合物，以及分别用于生产相应的药物。
• Pyrazolo-pyrimidine derivatives
  申请人：Goetschi Erwin

  公开号：US20050282827A1

  公开（公告）日：2005-12-22

  The invention relates to compounds of formula (I) wherein R 1 , R 2 , R 3 , R 4 , R 5 and p are as defined in the description and to pharmaceutically acceptable salts thereof, to pharmaceutical compositions containing such compounds, to the manufacture of such compounds and compositions, and to methods of treating or preventing acute and/or chronic central nervous system disorders by administering such compounds.

  本发明涉及公式(I)的化合物，其中R1、R2、R3、R4、R5和p如描述中所定义的，并且涉及其药学上可接受的盐，含有这种化合物的制药组合物，制造这种化合物和组合物的方法，以及通过给予这种化合物来治疗或预防急性和/或慢性中枢神经系统疾病的方法。
• SUBSTITUTED PYRAZOLO [1,5-A] PYRIMIDINES AS METABOTROPIC GLUTAMATE ANTAGONISTS
  申请人：Gatti McArthur Silvia

  公开号：US20120041002A1

  公开（公告）日：2012-02-16

  The present invention relates to compounds of formula (I) wherein A, E G, J, L, M, R 1 , R 2 , and R 3 are as defined in the specification and claims. The invention also relates to pharmaceutical compositions containing such compounds and methods for preparing the compounds and compositions. The compounds are metabotropic glutamate receptor antagonists and are useful for the treatment of a variety of CNS disorders.

  本发明涉及式（I）的化合物，其中A，E，G，J，L，M，R1，R2和R3如规范和权利要求中所定义。该发明还涉及含有这种化合物的药物组合物以及制备这种化合物和组合物的方法。这些化合物是代谢型谷氨酸受体拮抗剂，可用于治疗多种中枢神经系统疾病。
• SUBSTITUTED PYRAZOLO [1,5-a] PYRIMIDINES AS METABOTROPIC GLUTAMATE ANTAGONISTS
  申请人：McArthur Silvia Gatti

  公开号：US20090143580A1

  公开（公告）日：2009-06-04

  The present invention relates to compounds of formula (I) wherein A, E G, J, L, M, R 1 , R 2 , and R 3 are as defined in the specification and claims. The invention also relates to pharmaceutical compositions containing such compounds and methods for preparing the compounds and compositions. The compounds are metabotropic glutamate receptor antagonists and are useful for the treatment of a variety of CNS disorders.

  本发明涉及式（I）化合物，其中A，E，G，J，L，M，R1，R2和R3如规范和权利要求所定义。本发明还涉及含有这种化合物的药物组合物以及制备这种化合物和组合物的方法。这些化合物是代谢型谷氨酸受体拮抗剂，可用于治疗多种中枢神经系统疾病。