3-methyl-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione | 53636-27-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡啶类
• 英文名称: 3-methyl-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
• 英文别名: 3-methyl-pyrrolo[3,4-b]pyridine-5,7-dione；5-Methyl-chinolinimid；3-Methylpyrrolo[3,4-b]pyridine-5,7-dione
• CAS: 53636-27-4
• 化学式: C₈H₆N₂O₂
• 分子量: 162.148
• InChiKey: CRMMTKARDXVWEB-UHFFFAOYSA-N

物化性质

• 密度：
  1.385±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  59.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  甲咪唑烟酸 在 水 作用下， 生成 5-methylpyridine-2,3-dicarboxylic anhydride 、 5-甲基吡啶-2,3-二羧酸 、 2-formyl-5-methylnicotinic acid 、 、 2-carbamoyl-5-methylnicotinic acid 、 2-carbamidoyl-5-methylnicotinic acid 、 (E)-5-methyl-2-((3-methylbut-2-en-2-ylimino)methyl)nicotinic acid 、 4-isopropyl-2-(3-hydroxy-5-methylpyridin-2-yl)-4-methyl-1H-imidazol-5(4H)-one 、 3-methyl-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
  参考文献：
  名称：

  Photolysis Pathway of Imazapic in Aqueous Solution: Ultrahigh Resolution Mass Spectrometry Analysis of Intermediates

  摘要：

  Direct degradation of imazapic, an herbicide of the imidazoline family, has been investigated in aqueous solution at different concentrations, pH values, and temperatures. The efficiency of the photodegradation process has been evaluated through degradation rate constants that could be fitted best with pseudo-first-order kinetics (C-t = C-0 e (-kt)). Ultrahigh resolution mass spectrometry (FTICR/MS) was used in electrospray ionization mode as a tool to study the photolysis process on a molecular level, whereas UV-vis and high-performance liquid chromatography/mass spectrometry analysis were used to follow, by time, the evolution of the intermediates. Taking advantage of the high resolving power of FTICR/MS to perform precise formula assignments taking account of the natural abundance of isotopes, we herein propose and demonstrate an approach using 2D-derived van Krevelen visualization (O/C, H/C, m/z) to confirm the formation of imazapic intermediates. Such an approach allows a qualitative analysis of intermediates and elucidates the plausible reaction pathways of the photolysis process. More than eight photoproducts were separated and identified as a phototransformation of the imidazole ring. A mechanistical pathway was proposed.

  DOI：

  10.1021/jf0720279

文献信息

• Process for the preparation of 2,3-pyridinedicarboximides
  申请人：BASF AKTIENGESELLSCHAFT

  公开号：EP0812843B1

  公开（公告）日：2002-01-30
• Process for the preparation of 5-(alkoxymethyl)-2,3-pyridine-dicarboximide compounds
  申请人：BASF AKTIENGESELLSCHAFT

  公开号：EP0812842B1

  公开（公告）日：2002-03-27
• US5849916A
  申请人：——

  公开号：US5849916A

  公开（公告）日：1998-12-15
• US5905154A
  申请人：——

  公开号：US5905154A

  公开（公告）日：1999-05-18
• US6034253A
  申请人：——

  公开号：US6034253A

  公开（公告）日：2000-03-07