N-cyano-N'-(3,4-dimethyl-phenyl)-guanidine | 197311-81-2

• 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: N-cyano-N'-(3,4-dimethyl-phenyl)-guanidine
• 英文别名: N-Cyan-N'-(3,4-dimethyl-phenyl)-guanidin；1-Cyano-3-(3,4-dimethylphenyl)guanidine；1-cyano-2-(3,4-dimethylphenyl)guanidine
• CAS: 197311-81-2
• 化学式: C₁₀H₁₂N₄
• 分子量: 188.232
• InChiKey: GRVLCLVSJKDHMA-UHFFFAOYSA-N

物化性质

• 熔点：
  211.5-218 °C
• 沸点：
  285.0±50.0 °C(Predicted)
• 密度：
  1.13±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  74.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-cyano-N'-(3,4-dimethyl-phenyl)-guanidine 、 硫代异氰酸苯酯 在 sodium methylate 作用下， 以 丙酮 为溶剂， 反应 0.07h， 以92%的产率得到4-[(3,4-dimethylphenyl)imino]-6-imino-1-phenyl-1,3,5-triazinane-2-thione
  参考文献：
  名称：

  Synthesis and Antimicrobial Activity of 1-Aryl-4-(arylimino)-6-iminohexahydro-1,3,5-triazine-2-thione Derivatives

  摘要：

  A series of 6-imino-1-aryl-4-(arylimino)-1,3,5-triazinane-2-thione derivatives are synthesized by cyclization of 1-aryl-3-cyanoguanidine with aryl isothiocyante in the presence of sodium methoxide under MW irradiation. Structures of the synthesized compounds 3a-j are elucidated from H-1 and C-13 NMR, MS, and IR, data. The synthesized compounds are evaluated for their antimicrobial activity against B. subtilis, S. aureus, P. aeruginosa, and E. Coli. Some compounds demonstrate promising activity against the tested strains.

  DOI：

  10.1134/s1070363219040303
• 作为产物：
  描述：

  3,4-二甲基苯胺 生成 N-cyano-N'-(3,4-dimethyl-phenyl)-guanidine
  参考文献：
  名称：

  149.合成抗疟药。第十部分。一些芳基-双胍（“-双胍”）衍生物

  摘要：

  DOI：

  10.1039/jr9460000729

文献信息

• Clark et al., British Journal of Pharmacology and Chemotherapy, 1958, vol. 13, p. 424,427
  作者：Clark et al.

  DOI：——

  日期：——
• 149. Synthetic antimalarials. Part X. Some aryl-diguanide (“-biguanide”) derivatives
  作者：F. H. S. Curd、F. L. Rose

  DOI：10.1039/jr9460000729

  日期：——
• Synthesis and Antimicrobial Activity of 1-Aryl-4-(arylimino)-6-iminohexahydro-1,3,5-triazine-2-thione Derivatives
  作者：T. Siva Sankara Babu、N. Srinivasu、B. Saha、S. Venkat Reddy

  DOI：10.1134/s1070363219040303

  日期：2019.4

  A series of 6-imino-1-aryl-4-(arylimino)-1,3,5-triazinane-2-thione derivatives are synthesized by cyclization of 1-aryl-3-cyanoguanidine with aryl isothiocyante in the presence of sodium methoxide under MW irradiation. Structures of the synthesized compounds 3a-j are elucidated from H-1 and C-13 NMR, MS, and IR, data. The synthesized compounds are evaluated for their antimicrobial activity against B. subtilis, S. aureus, P. aeruginosa, and E. Coli. Some compounds demonstrate promising activity against the tested strains.