6-Chloro-N²,N⁴-bis(3-chloro-4-flurophenyl)-1,3,5-triazine-2,4-diamine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: 6-Chloro-N²,N⁴-bis(3-chloro-4-flurophenyl)-1,3,5-triazine-2,4-diamine
• 英文别名: 6-chloro-2-N,4-N-bis(3-chloro-4-fluorophenyl)-1,3,5-triazine-2,4-diamine
• 化学式: C₁₅H₈Cl₃F₂N₅
• 分子量: 402.618
• InChiKey: BBRSABSZWYNVDV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  62.7
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-氨基-4-(4-氯苯基)噻唑 、 6-Chloro-N²,N⁴-bis(3-chloro-4-flurophenyl)-1,3,5-triazine-2,4-diamine 在 碳酸氢钠 作用下， 以 1,4-二氧六环 为溶剂， 反应 10.5h， 以86%的产率得到4-N,6-N-bis(3-chloro-4-fluorophenyl)-2-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,3,5-triazine-2,4,6-triamine
  参考文献：
  名称：

  Synthesis and antibacterial evaluation of series of novel tri-substituted-s-triazine derivatives

  摘要：

  Two novel series of s-triazine derivatives (6a-e and 7a-f) were synthesized with various aromatic and heterocyclic amines. The synthesized compounds were subsequently evaluated for their in vitro antibacterial activity against three gram-positive viz. Bacillus subtilis (NCIM-2063), Bacillus cereus (NCIM-2156), Staphylococcus aureus (NCIM-2079) and gram-negative bacteria viz. Pseudomonas aeruginosa (NCIM-2036), Escherichia coli (NCIM-2065) and Klebseilla pneumoniae (NCIM-2706) by the broth dilution method as recommended by the National Committee for Clinical Laboratory Standards (NCCLS) using streptomycin as reference standard. Structures of the synthesized compounds were elucidated on the basis of elemental analyses and spectral data.

  DOI：

  10.1007/s00044-010-9446-7
• 作为产物：
  描述：

  三聚氯氰 、 3-氯-4-氟苯胺 在 sodium hydroxide 作用下， 以 丙酮 为溶剂， 反应 3.0h， 以85%的产率得到6-Chloro-N²,N⁴-bis(3-chloro-4-flurophenyl)-1,3,5-triazine-2,4-diamine
  参考文献：
  名称：

  Synthesis and antibacterial evaluation of series of novel tri-substituted-s-triazine derivatives

  摘要：

  Two novel series of s-triazine derivatives (6a-e and 7a-f) were synthesized with various aromatic and heterocyclic amines. The synthesized compounds were subsequently evaluated for their in vitro antibacterial activity against three gram-positive viz. Bacillus subtilis (NCIM-2063), Bacillus cereus (NCIM-2156), Staphylococcus aureus (NCIM-2079) and gram-negative bacteria viz. Pseudomonas aeruginosa (NCIM-2036), Escherichia coli (NCIM-2065) and Klebseilla pneumoniae (NCIM-2706) by the broth dilution method as recommended by the National Committee for Clinical Laboratory Standards (NCCLS) using streptomycin as reference standard. Structures of the synthesized compounds were elucidated on the basis of elemental analyses and spectral data.

  DOI：

  10.1007/s00044-010-9446-7

文献信息

• Synthesis and biological evaluation of some new 3,4-dihydropyrimidin-4-ones
  作者：Jayesh Modha、Neela Datta、Hansa Parekh

  DOI：10.1016/s0014-827x(01)01118-1

  日期：2001.8

  Condensation of 5-cyano-2-hydrazino-3-N-methyl-6-phenyl/p-chlorophenyl-3,4-dihydropyrimidin-4-one (3a and 3b) with 2 4-bisalkyl/arylamino-6-chloro-s-triazine (4) gave the corresponding 2,4-bisalkyl/arylamino-6-[5'-cyano-3'-N-methyl]-6'-phenyl/p-chlorophenyl-3',4'-dihydropyrimidin-4'-one-2'-yl-hydrazino-s-triazines (5a-n and 6a-n). The compounds 4 have been prepared by the condensation of cyanuric chloride and different alkyl/aryl amines. The reaction between 5-cyano-3-N-methyl-2-methylthio-6-phenyl/p-chlorophenyl-3,4-dihydropyrimidin-4-one (2a and 2b) with hydrazine hydrate furnished 3a and 3b, respectively. The condensation of 6-phenyl/p-chlorophenyl/5-cyano-2-mercapto-3,4-dihydropyrimidin-4-one (1a and 1b) with methyl iodide yielded 2a and 2b, respectively. All the products have been evaluated in vitro for their antimicrobial activity against several microbes and antitubercular activity against Mycobacterium tuberculosis H37 Rv. (C) 2001 Elsevier Science S.A. All rights reserved.
• Synthesis and antibacterial evaluation of series of novel tri-substituted-s-triazine derivatives
  作者：Udaya Pratap Singh、Ramendra Kumar Singh、Hans Raj Bhat、Yadav Pankajkumar Subhashchandra、Vikas Kumar、Mukesh Kumar Kumawat、Prashant Gahtori

  DOI：10.1007/s00044-010-9446-7

  日期：2011.12

  Two novel series of s-triazine derivatives (6a-e and 7a-f) were synthesized with various aromatic and heterocyclic amines. The synthesized compounds were subsequently evaluated for their in vitro antibacterial activity against three gram-positive viz. Bacillus subtilis (NCIM-2063), Bacillus cereus (NCIM-2156), Staphylococcus aureus (NCIM-2079) and gram-negative bacteria viz. Pseudomonas aeruginosa (NCIM-2036), Escherichia coli (NCIM-2065) and Klebseilla pneumoniae (NCIM-2706) by the broth dilution method as recommended by the National Committee for Clinical Laboratory Standards (NCCLS) using streptomycin as reference standard. Structures of the synthesized compounds were elucidated on the basis of elemental analyses and spectral data.