methyl 2-methyl-6-oxo-1,4,5,6-tetrahydro-[4,4'-bipyridine]-3-carboxylate | 418789-57-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: methyl 2-methyl-6-oxo-1,4,5,6-tetrahydro-[4,4'-bipyridine]-3-carboxylate
• 英文别名: methyl 6-methyl-2-oxo-4-pyridin-4-yl-3,4-dihydro-1H-pyridine-5-carboxylate
• CAS: 418789-57-8
• 化学式: C₁₃H₁₄N₂O₃
• 分子量: 246.266
• InChiKey: ZHQRMKCDGCJAMX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  68.3
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (E)-4-hydroxy-4-methyl-1-(pyridin-4-yl)pent-1-en-3-one 、 β-氨基巴豆酸甲酯 在 2-(2,4,6-trimethyl-phenyl)-2,5,6,7-tetrahydro-pyrrolo[2,1-c] [1,2,4]triazol-4-ylium perchlorate 、 3,3',5,5'-四叔丁基-4,4'-联苯醌 、 potassium carbonate 作用下， 以 甲苯 为溶剂， 反应 12.0h， 以91%的产率得到methyl 2-methyl-6-oxo-1,4,5,6-tetrahydro-[4,4'-bipyridine]-3-carboxylate
  参考文献：
  名称：

  Enantioselective Synthesis of Dihydropyridinones via NHC-Catalyzed Aza-Claisen Reaction

  摘要：

  N-Heterocyclic carbene catalyzed aza-Claisen annulations of enals or their alpha'-hydrozyenone surrogates with vinylogous amides afford dihydropyridinones. The reaction proceeds with a broad range of substrates, and no nitrogen protecting group is required.

  DOI：

  10.1021/ol202272t

文献信息

• COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING
  申请人：Bulawa Christine

  公开号：US20100004277A1

  公开（公告）日：2010-01-07

  Disclosed are compositions and methods for modulating protein trafficking and treating or preventing disorders characterized by impaired protein trafficking. Also disclosed are methods for identification of compounds that rescue protein trafficking defects and methods of enhancing protein production.
• TETRAMERIC ALPHA-SYNUCLEIN AND USE THEREOF
  申请人：Ringe Dagmar

  公开号：US20130289022A1

  公开（公告）日：2013-10-31

  Disclosed herein are methods and related compositions for identifying compounds that stabilize natively folded tetrameric α-synuclein. These methods and compositions are useful for the treatment and diagnosis of α-synuclein-associated diseases and disorders.
• [EN] COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING<br/>[FR] COMPOSÉS ET PROCÉDÉS DE MODULATION DU TRAFIC DE PROTÉINES
  申请人：FOLDRX PHARMACEUTICALS INC

  公开号：WO2007089548A2

  公开（公告）日：2007-08-09

  [EN] Disclosed are compositions and methods for modulating protein trafficking and treating or preventing disorders characterized by impaired protein trafficking. Also disclosed are methods for identification of compounds that rescue protein trafficking defects and methods of enhancing protein production.
  [FR] La présente invention concerne des compositions et des procédés de modulation du trafic de protéines et le traitement ou la prévention de troubles caractérisés par un trafic de protéines altéré. L'invention concerne également des procédés d'identification de composés qui corrigent les défauts du trafic de protéines ainsi que des procédés d'amélioration de la production de protéines.
• Enantioselective Synthesis of Dihydropyridinones via NHC-Catalyzed Aza-Claisen Reaction
  作者：Benedikt Wanner、Jessada Mahatthananchai、Jeffrey W. Bode

  DOI：10.1021/ol202272t

  日期：2011.10.7

  N-Heterocyclic carbene catalyzed aza-Claisen annulations of enals or their alpha'-hydrozyenone surrogates with vinylogous amides afford dihydropyridinones. The reaction proceeds with a broad range of substrates, and no nitrogen protecting group is required.