6-(N-nosyl-N-methyl)-aminopyridine-2-carboxylic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 6-(N-nosyl-N-methyl)-aminopyridine-2-carboxylic acid
• 英文别名: 6-[Methyl-(2-nitrophenyl)sulfonylamino]pyridine-2-carboxylic acid
• 化学式: C₁₃H₁₁N₃O₆S
• 分子量: 337.313
• InChiKey: AMQLSPONIZDHSS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  142
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  6-(N-nosyl-N-methyl)-aminopyridine-2-carboxylic acid 在 氯化亚砜 、 N,N-二甲基甲酰胺 作用下， 反应 1.0h， 生成
  参考文献：
  名称：

  Acid-induced molecular-structural transformation of N -methyl aromatic oligoamides bearing pyridine-2-carboxamide

  摘要：

  Amide oligomers composed of pyridine-2-carboxamide as the repeating unit were synthesized in a step-wise manner and their structures were examined by means of H-1 NMR, NOE measurements, and DFT calculations. All the synthesized oligomers adopted a folded conformation, but became partially unfolded at the C-terminal upon addition of acid. A characteristic long-range hydrogen bond, which stabilizes local folding, was present in oligomers with a long main chain. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2015.11.058
• 作为产物：
  描述：

  6-methylaminopyridine-2-carboxylic acid methyl ester 在 吡啶 、 lithium hydroxide monohydrate 作用下， 以 甲醇 、 水 为溶剂， 反应 60.0h， 生成 6-(N-nosyl-N-methyl)-aminopyridine-2-carboxylic acid
  参考文献：
  名称：

  Acid-induced molecular-structural transformation of N -methyl aromatic oligoamides bearing pyridine-2-carboxamide

  摘要：

  Amide oligomers composed of pyridine-2-carboxamide as the repeating unit were synthesized in a step-wise manner and their structures were examined by means of H-1 NMR, NOE measurements, and DFT calculations. All the synthesized oligomers adopted a folded conformation, but became partially unfolded at the C-terminal upon addition of acid. A characteristic long-range hydrogen bond, which stabilizes local folding, was present in oligomers with a long main chain. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2015.11.058