5-(甲硫基)-2-吡啶甲酰氯 | 128073-12-1

• 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
• 中文名称: 5-(甲硫基)-2-吡啶甲酰氯
• 中文别名: 2-吡啶羰基氯化,5-(甲硫基)-(9CI)
• 英文名称: 5-(Methylsulfanyl)pyridine-2-carbonyl chloride
• 英文别名: 5-methylsulfanylpyridine-2-carbonyl chloride
• CAS: 128073-12-1
• 化学式: C₇H₆ClNOS
• 分子量: 187.65
• InChiKey: AYVCMKYPROXQGM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  55.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-氨基四氮唑 、 5-(甲硫基)-2-吡啶甲酰氯 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 N-(5-tetrazolyl)-5-methylthio-2-pyridinecarboxamide
  参考文献：
  名称：

  Antiallergic agents. 3. N-(1H-tetrazol-5-yl)-2-pyridinecarboxamides

  摘要：

  A series of N-tetrazolylpyridinecarboxamides was prepared and evaluated for antiallergic activity by the passive cutaneous anaphylaxis (PCA) assay. From the structure-activity relationships (SAR) of this class of compounds, it was revealed that the N-tetrazolylcarbamoyl group as an acidic functionality is required to be at the 2-position of the pyridine nucleus and that the phenyl group as a subtituent is not necessarily required for activity. 6-Methyl-N-(1H-tetrazol-5-yl)-2-pyridinecarboxamide (36) showed good oral activity and low toxicity.

  DOI：

  10.1021/jm00368a005
• 作为产物：
  描述：

  5-methylthio-2-pyridinecarboxylic acid 在 氯化亚砜 作用下， 反应 2.0h， 生成 5-(甲硫基)-2-吡啶甲酰氯
  参考文献：
  名称：

  Antiallergic agents. 3. N-(1H-tetrazol-5-yl)-2-pyridinecarboxamides

  摘要：

  A series of N-tetrazolylpyridinecarboxamides was prepared and evaluated for antiallergic activity by the passive cutaneous anaphylaxis (PCA) assay. From the structure-activity relationships (SAR) of this class of compounds, it was revealed that the N-tetrazolylcarbamoyl group as an acidic functionality is required to be at the 2-position of the pyridine nucleus and that the phenyl group as a subtituent is not necessarily required for activity. 6-Methyl-N-(1H-tetrazol-5-yl)-2-pyridinecarboxamide (36) showed good oral activity and low toxicity.

  DOI：

  10.1021/jm00368a005

文献信息

• Antiallergic agents. 3. N-(1H-tetrazol-5-yl)-2-pyridinecarboxamides
  作者：Yasushi Honma、Kyoji Hanamoto、Tomiki Hashiyama、Yasuo Sekine、Mikio Takeda、Yasutoshi Ono、Kei Tsuzurahara

  DOI：10.1021/jm00368a005

  日期：1984.2

  A series of N-tetrazolylpyridinecarboxamides was prepared and evaluated for antiallergic activity by the passive cutaneous anaphylaxis (PCA) assay. From the structure-activity relationships (SAR) of this class of compounds, it was revealed that the N-tetrazolylcarbamoyl group as an acidic functionality is required to be at the 2-position of the pyridine nucleus and that the phenyl group as a subtituent is not necessarily required for activity. 6-Methyl-N-(1H-tetrazol-5-yl)-2-pyridinecarboxamide (36) showed good oral activity and low toxicity.