N'-(3-cyano-3,4-dihydro-2H-chromen-2-yl)-N,N-dimethylimidoformamide | 1228595-08-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 香豆素
• 英文名称: N'-(3-cyano-3,4-dihydro-2H-chromen-2-yl)-N,N-dimethylimidoformamide
• 英文别名: N'-(3-cyano-3,4-dihydro-2H-chromen-2-yl)-N,N-dimethylmethanimidamide
• CAS: 1228595-08-1
• 化学式: C₁₃H₁₅N₃O
• 分子量: 229.282
• InChiKey: BKOMZGASSSEAJK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.68
• 重原子数：
  17.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  48.62
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  N'-(3-cyano-3,4-dihydro-2H-chromen-2-yl)-N,N-dimethylimidoformamide 在 氨 、 溶剂黄146 作用下， 反应 0.08h， 以68%的产率得到5H-chromeno [2,3-d]pyrimidin-4-amine
  参考文献：
  名称：

  Novel chromeno [2,3-b]-pyrimidine derivatives as potential anti-microbial agents

  摘要：

  An efficient, microwave irradiated synthesis of novel chromeno[2,3-b]-pyrimidine derivatives was carried out. 2-Amino-3,4-dihydro-2H-chromene-3-carbonitrile was converted into imine using N,N-Dimethylacetaldehyde dimethylacetal to give the core intermediate, which was used for the preparation of chromenopyrimidine library, using acetic acid and different amine in microwave irradiation for 5 min. Structures of newly synthesized compounds were confirmed by spectral studies. Compound 6g was characterized by single crystal X-ray analysis. All the compounds were also screened for their antimicrobial activity. Few of the compounds are found to be potential antimicrobials.

  DOI：

  10.1016/j.ejmech.2010.02.040
• 作为产物：
  描述：

  2-amino-3,4-dihydro-2H-chromene-3-carbonitrile 、 N,N-二甲基甲酰胺二甲基缩醛 反应 1.0h， 以84%的产率得到N'-(3-cyano-3,4-dihydro-2H-chromen-2-yl)-N,N-dimethylimidoformamide
  参考文献：
  名称：

  Novel chromeno [2,3-b]-pyrimidine derivatives as potential anti-microbial agents

  摘要：

  An efficient, microwave irradiated synthesis of novel chromeno[2,3-b]-pyrimidine derivatives was carried out. 2-Amino-3,4-dihydro-2H-chromene-3-carbonitrile was converted into imine using N,N-Dimethylacetaldehyde dimethylacetal to give the core intermediate, which was used for the preparation of chromenopyrimidine library, using acetic acid and different amine in microwave irradiation for 5 min. Structures of newly synthesized compounds were confirmed by spectral studies. Compound 6g was characterized by single crystal X-ray analysis. All the compounds were also screened for their antimicrobial activity. Few of the compounds are found to be potential antimicrobials.

  DOI：

  10.1016/j.ejmech.2010.02.040