tert-butyl 3-nitro-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate | 1119103-44-4

• 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: tert-butyl 3-nitro-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate
• 英文别名: tert-butyl 3-nitro-5H-pyrrolo[3,4-b]pyridine-6(7H)-carboxylate
• CAS: 1119103-44-4
• 化学式: C₁₂H₁₅N₃O₄
• 分子量: 265.269
• InChiKey: QCTISLOHRDSULU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  88.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  tert-butyl 3-nitro-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate 在 palladium on activated carbon 、 氢气 作用下， 以 甲醇 为溶剂， 以75 %的产率得到Tert-butyl 3-amino-5H,6H,7H-pyrrolo[3,4-B]pyridine-6-carboxylate
  参考文献：
  名称：

  TRICYCLIC COMPOUNDS

  摘要：

  The present application relates to compounds of Formula (I), as defined herein, and pharmaceutically acceptable salts thereof. The present application also describes pharmaceutical composition comprising a compound of Formula (I), and pharmaceutically acceptable salts thereof, and methods of using the compounds and compositions for treating diseases such as cancer.

  公开号：

  WO2024107393A1
• 作为产物：
  描述：

  1-甲基-3,5-二硝基-2-吡啶酮 、 1-叔丁氧碳基-3-吡咯烷酮 在 氨 作用下， 以 甲醇 为溶剂， 以27 %的产率得到tert-butyl 3-nitro-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate
  参考文献：
  名称：

  TRICYCLIC COMPOUNDS

  摘要：

  The present application relates to compounds of Formula (I), as defined herein, and pharmaceutically acceptable salts thereof. The present application also describes pharmaceutical composition comprising a compound of Formula (I), and pharmaceutically acceptable salts thereof, and methods of using the compounds and compositions for treating diseases such as cancer.

  公开号：

  WO2024107393A1

文献信息

• Microwave-Assisted Synthesis of Novel (5-Nitropyridin-2-yl)alkyl and (5-Nitropyridin-3-yl)alkyl Carbamates
  作者：Christophe Henry、Andreas Haupt、Sean C. Turner

  DOI：10.1021/jo802439d

  日期：2009.3.6

  straightforward approach to novel (5-nitropyridin-2-yl)alkyl and (5-nitropyridin-3-yl)alkyl carbamate building blocks is presented in this study. Their construction is achieved by condensation of N-carbamate α- and β-amino carbonyl derivatives with 1-methyl-3,5-dinitro-2-pyridone 1 under microwave irradiation. Judiciously chosen modifications in the nature of the parent carbonyl starting material has influenced

  在这项研究中提出了一种新颖的方法，以新颖的（5-硝基吡啶-2-基）烷基和（5-硝基吡啶-3-基）烷基氨基甲酸酯结构单元。它们的构造是通过在微波辐射下使N-氨基甲酸酯α-和β-氨基羰基衍生物与1-甲基-3,5-二硝基-2-吡啶酮1缩合而实现的。母体羰基原料性质的明智选择的修饰影响了反应的区域化学结果，并允许有效地获得新型的含氮支架。具有相同形态相似性的化合物已收集到三个在单个结构参数上彼此不同的库中。
• TRICYCLIC COMPOUNDS
  申请人：[en]SCHRÖDINGER, INC.

  公开号：WO2024107393A1

  公开（公告）日：2024-05-23

  The present application relates to compounds of Formula (I), as defined herein, and pharmaceutically acceptable salts thereof. The present application also describes pharmaceutical composition comprising a compound of Formula (I), and pharmaceutically acceptable salts thereof, and methods of using the compounds and compositions for treating diseases such as cancer.