1-Ethyl-4-methoxy-Δ³-pyrrolin-2-one | 90968-35-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯啉
• 英文名称: 1-Ethyl-4-methoxy-Δ³-pyrrolin-2-one
• 英文别名: N-ethyl-4-O-methyl tetramate；1-ethyl-4-methoxy-1,5-dihydropyrrol-2-one；1-ethyl-3-methoxy-2H-pyrrol-5-one
• CAS: 90968-35-7
• 化学式: C₇H₁₁NO₂
• 分子量: 141.17
• InChiKey: VGDNOMJSUXZHKC-UHFFFAOYSA-N

物化性质

• 沸点：
  304.5±41.0 °C(Predicted)
• 密度：
  1.09±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-Ethyl-4-methoxy-Δ³-pyrrolin-2-one 在 甲烷磺酸 、 溶剂黄146 、 sodium t-butanolate 作用下， 以 叔丁醇 为溶剂， 反应 4.25h， 生成 9-Amino-5-bromo-6-fluoro-2-ethyl-2,3-dihydro-pyrrolo[3,4-b]quinolin-1-one
  参考文献：
  名称：

  Development and SAR of functionally selective allosteric modulators of GABAA receptors

  摘要：

  Positive modulators at the benzodiazepine site of alpha 2- and alpha 3-containing GABA(A) receptors are believed to be anxiolytic. Through oocyte voltage clamp studies, we have discovered two series of compounds that are positive modulators at alpha 2-/alpha 3-containing GABA(A) receptors and that show no functional activity at alpha 1-containing GABAA receptors. We report studies to improve this functional selectivity and ultimately deliver clinical candidates. The functional SAR of cinnolines and quinolines that are positive allosteric modulators of the alpha 2- and alpha 3-containing GABA(A) receptors, while simultaneously neutral antagonists at alpha 1-containing GABAA receptors, is described. Such functionally selective modulators of GABA(A) receptors are expected to be useful in the treatment of anxiety and other psychiatric illnesses. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.03.035
• 作为产物：
  描述：

  (E)-3-甲氧基-2-丁烯酸甲酯 在 N-溴代丁二酰亚胺(NBS) 作用下， 生成 1-Ethyl-4-methoxy-Δ³-pyrrolin-2-one
  参考文献：
  名称：

  Synthesis of 4-alkoxy-Δ3-pyrrolin-2-ones and tetramic acids

  摘要：

  DOI：

  10.1016/s0040-4039(01)90063-2

文献信息

• Compounds and Uses Thereof - 848
  申请人：Chang Hui-Fang

  公开号：US20080318943A1

  公开（公告）日：2008-12-25

  This invention relates to novel compounds having the structural formula I below: and their pharmaceutically acceptable salts, tautomers or in vivo-hydrolysable precursors, compositions and methods of use thereof, wherein R 1 , R 2 , R 3 , R 4 , R 5 , and R 6 are defined in the specification. These novel compounds provide a treatment or prophylaxis of anxiety disorders, schizophrenia, cognitive disorders, and/or mood disorders.

  本发明涉及具有下面结构式I的新化合物：及其药用盐、互变异构体或体内水解前体，其组合物和使用方法，其中R1、R2、R3、R4、R5和R6在规范中定义。这些新化合物提供了治疗或预防焦虑症、精神分裂症、认知障碍和/或情绪障碍的方法。
• IMIDAZO[1,2-a]PYRIDINE COMPOUNDS
  申请人：Fang Qun Kevin

  公开号：US20110166146A1

  公开（公告）日：2011-07-07

  Imidazo[1,2-a]pyridines are disclosed. Compounds of the invention are useful therapeutic agents and their inclusion in pharmaceutical formulations and use in methods of treatment are disclosed.

  本发明揭示了咪唑并[1,2-a]吡啶类化合物。该发明的化合物是有用的治疗剂，揭示了它们在制药配方中的包含以及在治疗方法中的使用。
• Jones, Raymond C. F.; Patience, Jacqueline M., Journal of the Chemical Society. Perkin transactions I, 1990, # 8, p. 2350 - 2351
  作者：Jones, Raymond C. F.、Patience, Jacqueline M.

  DOI：——

  日期：——
• 3-Alkoxypyrroles by reduction of alkoxypyrrolinones
  作者：Kanwarpal S. Kochhar、Harold W. Pinnick

  DOI：10.1021/jo00191a038

  日期：1984.8
• JONES, RAYMOND C. F.;PATIENCE, JACQUELINE M., J. CHEM. SOC. PERKIN TRANS. PT 1,(1990) N, C. 2350-2351
  作者：JONES, RAYMOND C. F.、PATIENCE, JACQUELINE M.

  DOI：——

  日期：——