5-carbamoyl-1'-methyl-2,3'-bipyridinium tosylate

• 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: 5-carbamoyl-1'-methyl-2,3'-bipyridinium tosylate
• 英文别名: 4-Methylbenzenesulfonate;6-(1-methylpyridin-1-ium-3-yl)pyridine-3-carboxamide
• 化学式: C₇H₇O₃S*C₁₂H₁₂N₃O
• 分子量: 385.444
• InChiKey: VPUIBFYKJIHAHZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.57
• 重原子数：
  27
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  125
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-carbamoyl-1'-methyl-2,3'-bipyridinium tosylate 在 过氧化脲素 、 三氟乙酸 作用下， 以86%的产率得到5-carbamoyl-1'-methyl-2,3'-bipyridinium-1-oxide tosylate
  参考文献：
  名称：

  N-methylation and N-oxidation of the less reactive nitrogen atom of a 2,3′-bipyridine. Two general methods for polyazines

  摘要：

  5-Carbamoyl-2,3'-bipyridine model compound was N-methylated or N-oxidized at the less reactive 2-pyridyl ring for the first time. Two different schemes were developed.

  DOI：

  10.1016/0040-4020(95)00074-i
• 作为产物：
  描述：

  对甲苯磺酸甲酯 、 5-carbamoyl-2,3'-bipyridine 以 乙腈 为溶剂， 以99%的产率得到5-carbamoyl-1'-methyl-2,3'-bipyridinium tosylate
  参考文献：
  名称：

  N-methylation and N-oxidation of the less reactive nitrogen atom of a 2,3′-bipyridine. Two general methods for polyazines

  摘要：

  5-Carbamoyl-2,3'-bipyridine model compound was N-methylated or N-oxidized at the less reactive 2-pyridyl ring for the first time. Two different schemes were developed.

  DOI：

  10.1016/0040-4020(95)00074-i

文献信息

• N-methylation and N-oxidation of the less reactive nitrogen atom of a 2,3′-bipyridine. Two general methods for polyazines
  作者：John A. Zoltewicz、Michael P. Cruskie

  DOI：10.1016/0040-4020(95)00074-i

  日期：1995.3

  5-Carbamoyl-2,3'-bipyridine model compound was N-methylated or N-oxidized at the less reactive 2-pyridyl ring for the first time. Two different schemes were developed.