Methyl 1,2,5,6,7,8-Hexahydro-2-oxo-3-quinolinecarboxylate | 125031-45-0

• 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: Methyl 1,2,5,6,7,8-Hexahydro-2-oxo-3-quinolinecarboxylate
• 英文别名: methyl 2-oxo-1,2,5,6,7,8-hexahydro-3-quinolinecarboxylate；methyl 2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
• CAS: 125031-45-0
• 化学式: C₁₁H₁₃NO₃
• mdl: MFCD06254761
• 分子量: 207.229
• InChiKey: XBXOQUNYOXZFJT-UHFFFAOYSA-N

物化性质

• 熔点：
  193-194 °C(Solv: ethanol (64-17-5))
• 沸点：
  461.9±37.0 °C(Predicted)
• 密度：
  1.23±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.454
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Methyl 1,2,5,6,7,8-Hexahydro-2-oxo-3-quinolinecarboxylate 在 二异丁基氢化铝 作用下， 以 四氢呋喃 为溶剂， 以57 %的产率得到3-(hydroxymethyl)-5,6,7,8-tetrahydroquinolin-2(1H)-one
  参考文献：
  名称：

  COMPOUNDS FOR TREATMENT OF A CORONAVIRUS INFECTION

  摘要：

  The present invention is generally directed to inhibitors of SARS-CoV-2-related 3C-like protease (Mpro) useful in the treatment of coronavirus infection and having the Formula (A):

  公开号：

  WO2023245166A2
• 作为产物：
  描述：

  N-cyclohexylidene-2-methylpropan-2-amine 、 甲氧基亚甲基马来酸二甲酯 以 二苯醚 为溶剂， 以71%的产率得到Methyl 1,2,5,6,7,8-Hexahydro-2-oxo-3-quinolinecarboxylate
  参考文献：
  名称：

  Ito, Kunio; Yokokura, Seiichi; Miyajima, Shingo, Journal of Heterocyclic Chemistry, 1989, vol. 26, p. 773 - 778

  摘要：

  DOI：

文献信息

• PYRROLO PYRIMIDINE DERIVATIVE
  申请人：ONO Pharmaceutical Co., Ltd.

  公开号：EP3067356B1

  公开（公告）日：2018-07-04
• An Efficient Synthesis of Functionalized 2-Pyridones by Direct Route or via Amide/Enolate Ammonium Salt Intermediates
  作者：Francesco Bondavalli

  DOI：10.1055/s-1999-3531

  日期：1999.7

  A number of compounds with a 2-pyridone structure 3, which have different substituents and are analogous to cardiotonic drugs like milrinone, have been synthesized in high yields from the appropriate enamino ketones 2 using different cyanomethylene active compounds (methyl cyanoacetate, benzoylacetonitrile and phenylsulfonylacetonitrile). In this synthetic route, the active role of the dimethylamine released in situ on the cyclization process has been underlined. In particular, its direct intervention, as a nucleophile or a base, was proven and intermediate amides 5 or enolate ammonium salts 6 were isolated and recognized by the analytical and spectral data.
• ITO, KUNIO;YOKOKURA, SEIICHI;MIYAJIMA, SHINGO, J. HETEROCYCL. CHEM., 26,(1989) N, C. 773-778
  作者：ITO, KUNIO、YOKOKURA, SEIICHI、MIYAJIMA, SHINGO

  DOI：——

  日期：——
• US9586967B2
  申请人：——

  公开号：US9586967B2

  公开（公告）日：2017-03-07
• [EN] BICYCLIC HETEROCYCLIC AMIDE INHIBITORS OF NA V1.8 FOR THE TREATMENT OF PAIN<br/>[FR] INHIBITEURS D'AMIDES HÉTÉROCYCLIQUES BICYCLIQUES DE NA V1.8 POUR LE TRAITEMENT DE LA DOULEUR
  申请人：[en]SITEONE THERAPEUTICS, INC.

  公开号：WO2023211990A1

  公开（公告）日：2023-11-02

  Provided herein are compounds of formula (I), pharmaceutical compositions comprising the compounds, methods of preparing the compounds, and methods of using the compounds and compositions in treating conditions associated with voltage-gated sodium channel function where the compounds are 1-206. (Formula (I))