1-[3-甲氧基-4-(吡啶-2-基)苯基]乙酮 | 669091-11-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-[3-甲氧基-4-(吡啶-2-基)苯基]乙酮
• 英文名称: 1-[3-methoxy-4-(pyridin-2-yl)phenyl]ethanone
• 英文别名: 1-(3-Methoxy-4-pyridin-2-ylphenyl)ethanone
• CAS: 669091-11-6
• 化学式: C₁₄H₁₃NO₂
• 分子量: 227.263
• InChiKey: FGHDPRMWDWAELC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-[3-甲氧基-4-(吡啶-2-基)苯基]乙酮 在 氢溴酸 、 溴 、 溶剂黄146 作用下， 以 苯 为溶剂， 反应 1.5h， 以87.2%的产率得到2-溴-1-(3-甲氧基-4-吡啶-2-基苯基)乙酮
  参考文献：
  名称：

  Discovery of novel modulators of metabotropic glutamate receptor subtype-5

  摘要：

  A series of potent and selective mGluR5 antagonists were synthesized and evaluated in vitro and in vivo. It was found that a pyridyl functionality is a potential replacement for acetonitrile in the lead structure, with 2-pyridyl being most favored. Additionally, the benzoxazole moiety could also be replaced by other heterobicyclic rings such as imidazothiazole. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2003.10.021
• 作为产物：
  描述：

  香草乙酮 在 四(三苯基膦)钯 caesium carbonate 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 24.0h， 生成 1-[3-甲氧基-4-(吡啶-2-基)苯基]乙酮
  参考文献：
  名称：

  Discovery of novel modulators of metabotropic glutamate receptor subtype-5

  摘要：

  A series of potent and selective mGluR5 antagonists were synthesized and evaluated in vitro and in vivo. It was found that a pyridyl functionality is a potential replacement for acetonitrile in the lead structure, with 2-pyridyl being most favored. Additionally, the benzoxazole moiety could also be replaced by other heterobicyclic rings such as imidazothiazole. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2003.10.021

文献信息

• Fused heterobicyclo substituted phenyl metabotropic glutamate-5 modulators
  申请人：Campbell Thomas Brian

  公开号：US20050240021A1

  公开（公告）日：2005-10-27

  Phenyl compounds substituted with a fused-heterobicyclo moiety, are mGluR5 modulators useful in the treatment of psychiatric and mood disorders such as, for example, schizophrenia, anxiety, depression, and panic, as well as in the treatment of pain and other diseases.

  含有融合杂环双环基团的苯基化合物是mGluR5调节剂，可用于治疗精神和情绪障碍，例如精神分裂症、焦虑、抑郁和惊恐症，以及疼痛和其他疾病的治疗。
• FUSED HETEROBICYCLO SUBSTITUTED PHENYL METABOTROPIC GLUTAMATE-5 MODULATORS
  申请人：Merck & Co., Inc.

  公开号：EP1539749A2

  公开（公告）日：2005-06-15
• EP1539749A4
  申请人：——

  公开号：EP1539749A4

  公开（公告）日：2007-06-13
• US7105533B2
  申请人：——

  公开号：US7105533B2

  公开（公告）日：2006-09-12
• [EN] FUSED HETEROBICYCLO SUBSTITUTED PHENYL METABOTROPIC GLUTAMATE-5 MODULATORS<br/>[FR] MODULATEURS DU RECEPTEUR GLUTAMATE METABOTROPIQUE 5 (MGLUR5) DE PHENYLE SUBSTITUES PAR UN FRAGMENT HETEROBICYCLO FUSIONNE
  申请人：MERCK & CO INC

  公开号：WO2004024074A2

  公开（公告）日：2004-03-25

  Phenyl compounds substituted with a fused-heterobicyclo moiety, are mGluR5 modulators useful in the treatment of psychiatric and mood disorders such as, for example, schizophrenia, anxiety, depression, and panic, as well as in the treatment of pain and other diseases.