1-(3-Fluoro-phenoxy)-propan-2-one | 1036762-57-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-(3-Fluoro-phenoxy)-propan-2-one
• 英文别名: 1-(3-Fluorophenoxy)-2-propanone；1-(3-fluorophenoxy)propan-2-one
• CAS: 1036762-57-8
• 化学式: C₉H₉FO₂
• mdl: MFCD06659707
• 分子量: 168.168
• InChiKey: DKRYKBLIMCCASI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(3-Fluoro-phenoxy)-propan-2-one 在 ammonium acetate 、 sodium cyanoborohydride 、 三乙胺 作用下， 生成 (R)-2-Cyano-N-[2-(3-fluoro-phenoxy)-1-methyl-ethyl]-3,3-dimethyl-butyramide
  参考文献：
  名称：

  Design of scytalone dehydratase inhibitors as rice blast fungicides: (N-phenoxypropyl)-carboxamides

  摘要：

  Insights gained from a crystal structure of scytalone dehydratase led to the design of carboxamide inhibitors with a phenoxypropyl group substituted on the nitrogen atom. Potent enzyme inhibitors were synthesized around this motif, the best of which provided excellent control of rice blast disease in greenhouse assays and outdoor field trials. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00246-2
• 作为产物：
  描述：

  3-氟苯酚 、 一氯丙酮 在 potassium carbonate 、 potassium iodide 作用下， 以 丙酮 为溶剂， 生成 1-(3-Fluoro-phenoxy)-propan-2-one
  参考文献：
  名称：

  氨基乙腈衍生物的发现，这是一类新型的合成驱虫药。

  摘要：

  已经发现了一系列新的氨基乙腈衍生物（AAD），它们对寄生的线虫物种（例如，弯扭线虫和棒状毛线虫）表现出较高的驱虫活性。重要的是，这些化合物还显示出抗线虫菌株的活性，该菌株对目前可用的广谱驱虫药具有抗性。介绍了其发现，合成，构效关系和生物学结果。

  DOI：

  10.1016/j.bmcl.2008.03.071

文献信息

• [EN] BICYCLIC PYRAZOLE COMPOUNDS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS<br/>[FR] UTILISATION DE COMPOSÉS BICYCLIQUES DE PYRAZOLE EN TANT QUE MODULATEURS ALLOSTÉRIQUES DES RÉCEPTEURS MGLUR5
  申请人：UNIV VANDERBILT

  公开号：WO2012078817A1

  公开（公告）日：2012-06-14

  In one aspect, the invention relates to bicyclic pyrazole compounds, derivatives thereof, and related compounds, which are useful as positive allosteric modulators of the metabotropic glutamate receptor subtype 5 (mGluR5); synthetic methods for making the compounds; pharmaceutical compositions comprising the compounds; and methods of treating neurological and psychiatric disorders associated with glutamate dysfunction using the compounds and compositions. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.

  在一个方面，这项发明涉及到双环吡唑化合物、其衍生物和相关化合物，这些化合物可作为代谢型谷氨酸受体亚型5（mGluR5）的正向变构调节剂；制备这些化合物的合成方法；包括这些化合物的药物组合物；以及使用这些化合物和组合物治疗与谷氨酸功能障碍相关的神经和精神疾病的方法。这个摘要旨在作为在特定领域进行搜索的扫描工具，并不意味着对本发明的限制。
• BICYCLIC PYRAZOLE COMPOUNDS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS
  申请人：Conn P. Jeffrey

  公开号：US20120295913A1

  公开（公告）日：2012-11-22

  In one aspect, the invention relates to bicyclic pyrazole compounds, derivatives thereof, and related compounds, which are useful as positive allosteric modulators of the metabotropic glutamate receptor subtype 5 (mGluR5); synthetic methods for making the compounds; pharmaceutical compositions comprising the compounds; and methods of treating neurological and psychiatric disorders associated with glutamate dysfunction using the compounds and compositions. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.

  本发明涉及双环吡唑化合物及其衍生物和相关化合物，它们可用作代谢型谷氨酸受体亚型5（mGluR5）的正向变构调节剂；合成制备这些化合物的方法；包括这些化合物的制药组合物；以及使用这些化合物和组合物治疗与谷氨酸功能障碍相关的神经和精神障碍的方法。本摘要旨在作为搜索特定领域的扫描工具，不限制本发明。
• Substituted pyrazolo[1,5-A]pyrazine compounds as allosteric modulators of mGluR5 receptors
  申请人：Conn P. Jeffrey

  公开号：US08703946B2

  公开（公告）日：2014-04-22

  In one aspect, the invention relates to substituted pyrazolo[1,5-a]pyrazine compounds, derivatives thereof, and related compounds, which are useful as positive allosteric modulators of the metabotropic glutamate receptor subtype 5 (mGluR5); synthetic methods for making the compounds; pharmaceutical compositions comprising the compounds; and methods of treating neurological and psychiatric disorders associated with glutamate dysfunction using the compounds and compositions. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.

  在一个方面，本发明涉及取代的吡唑并[1,5-a]吡嗪化合物、其衍生物和相关化合物，它们是代谢型谷氨酸受体亚型5（mGluR5）的正向变构调节剂；制备这些化合物的合成方法；包含这些化合物的药物组合物；以及使用这些化合物和组合物治疗与谷氨酸功能障碍相关的神经和精神障碍的方法。本摘要旨在作为搜索特定技术领域的扫描工具，不限制本发明。
• Substituted pyrazolo[1,5-a]pyrazines as mGluR5 receptor modulators
  申请人：Vanderbilt University

  公开号：US09255103B2

  公开（公告）日：2016-02-09

  In one aspect, the invention relates to substituted pyrazolo[1,5-a]pyrazines analogs, derivatives thereof, and related compounds, which are useful as positive allosteric modulators of the metabotropic glutamate receptor subtype 5 (mGluR5); synthetic methods for making the compounds; pharmaceutical compositions comprising the compounds; and methods of treating neurological and psychiatric disorders associated with glutamate dysfunction using the compounds and compositions. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.

  在一个方面，本发明涉及取代的吡唑并[1,5-a]吡嗪类似物，其衍生物和相关化合物，它们可用作代谢型谷氨酸受体亚型5（mGluR5）的正向变构调节剂；制备这些化合物的合成方法；包括这些化合物的制药组合物；以及使用这些化合物和组合物治疗与谷氨酸功能障碍相关的神经和精神障碍的方法。本摘要旨在作为特定领域搜索的扫描工具，并不意味着对本发明的限制。
• US8703946B2
  申请人：——

  公开号：US8703946B2

  公开（公告）日：2014-04-22