6-Chloro-pyrazine-2-carboximidic acid methylester | 1246466-46-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 6-Chloro-pyrazine-2-carboximidic acid methylester
• 英文别名: methyl 6-chloropyrazine-2-carboximidate
• CAS: 1246466-46-5
• 化学式: C₆H₆ClN₃O
• 分子量: 171.586
• InChiKey: PZFNZYIGIQXDBI-UHFFFAOYSA-N

物化性质

• 沸点：
  236.7±50.0 °C(Predicted)
• 密度：
  1.41±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  58.9
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  6-Chloro-pyrazine-2-carboximidic acid methylester 、 邻氯苯磺酰胺 反应 3.0h， 以1.1 g的产率得到6-chloro-N'-(2-chlorophenylsulfonyl)pyrazine-2-carboximidamide
  参考文献：
  名称：

  Synthesis, structure, and biological activity of novel heterocyclic sulfonyl-carboximidamides

  摘要：

  A series of novel heterocyclic sulfonyl-carboximidamides were synthesized in satisfactory yields via condensation of heterocyclic methyl carbimidates with 2-chlorobenzenesulfonamide and 4-chloropyridine-3-sulfonamide. New structures were confirmed by IR and NMR spectra as well as elemental analyses. X-ray crystallography of two derivatives was performed. The single-crystal structures confirmed the presence of a primary amine group in the amidine moiety. All the compounds were screened for their tuberculostatic, antibacterial, and anticancer activities. Preliminary results indicated that target compounds exhibited weak tuberculostatic and antibacterial activities. Seven compounds inhibited the growth of some cancer cell lines, whereas one of the 2-quinoline derivatives displayed favorable activity against all tested cancer cells with GI (50) values of 0.92-13 mu M.

  DOI：

  10.1007/s00706-012-0888-0
• 作为产物：
  描述：

  甲醇 、 6-氰基-2-氯吡嗪 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 反应 0.5h， 生成 6-Chloro-pyrazine-2-carboximidic acid methylester
  参考文献：
  名称：

  Synthesis, structure, and biological activity of novel heterocyclic sulfonyl-carboximidamides

  摘要：

  A series of novel heterocyclic sulfonyl-carboximidamides were synthesized in satisfactory yields via condensation of heterocyclic methyl carbimidates with 2-chlorobenzenesulfonamide and 4-chloropyridine-3-sulfonamide. New structures were confirmed by IR and NMR spectra as well as elemental analyses. X-ray crystallography of two derivatives was performed. The single-crystal structures confirmed the presence of a primary amine group in the amidine moiety. All the compounds were screened for their tuberculostatic, antibacterial, and anticancer activities. Preliminary results indicated that target compounds exhibited weak tuberculostatic and antibacterial activities. Seven compounds inhibited the growth of some cancer cell lines, whereas one of the 2-quinoline derivatives displayed favorable activity against all tested cancer cells with GI (50) values of 0.92-13 mu M.

  DOI：

  10.1007/s00706-012-0888-0