3-nitro-5,6,7,8-tetrahydroquinolin-5-one | 87883-18-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 3-nitro-5,6,7,8-tetrahydroquinolin-5-one
• 英文别名: 3-nitro-7,8-dihydro-5(6H)-quinolone；3-Nitro-7,8-dihydroquinolin-5(6H)-one；3-nitro-7,8-dihydro-6H-quinolin-5-one
• CAS: 87883-18-9
• 化学式: C₉H₈N₂O₃
• mdl: MFCD10696331
• 分子量: 192.174
• InChiKey: GQZRZLJUYXQTQU-UHFFFAOYSA-N

物化性质

• 熔点：
  120-121 °C
• 沸点：
  353.7±42.0 °C(Predicted)
• 密度：
  1.394±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  75.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-氨基-2-环己烯-1-酮 、 nitromalonic aldehyde sodium salt 在 吡啶 、 对甲苯磺酰氯 作用下， 生成 3-nitro-5,6,7,8-tetrahydroquinolin-5-one
  参考文献：
  名称：

  Synthesis of 3-nitro-5-acylpyridines by condensation of sodium nitromalonaldehyde/tosyl chloride with 2-amino-1-acylolefins. Evidence for the intermediacy of 3-chloro-2-nitroacrolein

  摘要：

  DOI：

  10.1021/jo00175a048

文献信息

• Tetrahydroquinolinones and their use as antagonists of metabotropic glutamate receptors
  申请人：Jirgensons Aigars

  公开号：US20050197361A1

  公开（公告）日：2005-09-08

  The invention relates to tetrahydroquinolinone derivatives as well as their pharmaceutially acceptable salts. The invention further relates to a process for the preparation of such compounds. The compounds of the invention are group I mGluR antagonists and are therefore useful for the control and prevention of acute and/or chronic neurological disorders.

  该发明涉及四氢喹诺酮衍生物及其药用可接受的盐。该发明还涉及一种制备这种化合物的方法。该发明的化合物是I组mGluR拮抗剂，因此对于控制和预防急性和/或慢性神经系统疾病非常有用。
• Reactivators Of Organophosphorous Inhibited Acetylcholinesterase
  申请人：Southwest Research Institute

  公开号：US20140350262A1

  公开（公告）日：2014-11-27

  The present invention relates to organophosphate-inhibited acetylcholinesterase (AChE) reactivators with central nervous system (CNS) bioavailability and their associated methods of preparation including their use for treatment of exposure to AChE inhibitors such as an organophosphate (OP) insecticides and nerve agents.

  本发明涉及具有中枢神经系统（CNS）生物利用度的有机磷酸酯抑制的乙酰胆碱酯酶（AChE）再活化剂及其相关制备方法，包括它们用于治疗暴露于AChE抑制剂，如有机磷酸酯（OP）杀虫剂和神经毒剂的方法。
• A General Preparation of Pyridines and Pyridones via the Annulation of Ketones and Esters
  作者：Jean-François Marcoux、Félix-Antoine Marcotte、Jimmy Wu、Peter G. Dormer、Ian W. Davies、David Hughes、Paul J. Reider

  DOI：10.1021/jo0155198

  日期：2001.6.1

  A general preparation of pyridines 4a-f from stabilized ketones 3a-c and aryl ketones 3d-f is described. The annulation of stabilized esters 3g,h gives access to the corresponding 2-pyridones 4g,h. The annulation reactions proceed in fair to excellent yields (46-87%) with vinamidinium hexafluorophosphate salts 2a-d containing electron-withdrawing groups at the beta -positisn. The mechanism of the reaction was investigated by NMR and proceeds through the formation of a dienaminone intermediate.
• HOFFMAN, J. M.;PHILLIPS, B. T.;COCHRAN, D. W., J. ORG. CHEM., 1984, 49, N 1, 193-195
  作者：HOFFMAN, J. M.、PHILLIPS, B. T.、COCHRAN, D. W.

  DOI：——

  日期：——
• TETRAHYDROQUINOLINONES AND THEIR USE AS ANTAGONISTS OF METABOTROPIC GLUTAMATE RECEPTORS
  申请人：Merz Pharma GmbH & Co. KGaA

  公开号：EP1723116A2

  公开（公告）日：2006-11-22