1-(2,4-dichlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine | 351190-40-4

• 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: 1-(2,4-dichlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine
• CAS: 351190-40-4
• 化学式: C₁₃H₁₃Cl₂N₅
• mdl: MFCD01560105
• 分子量: 310.186
• InChiKey: YQJMSUXIIMWCNS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  76.2
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(2,4-dichlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine 、 溴乙酸乙酯 以 1,4-二氧六环 为溶剂， 反应 5.0h， 以34%的产率得到[1-(2,4-dichlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)imino]imidazolidin-4-one
  参考文献：
  名称：

  Synthesis of derivatives of 2-aminoimidazole and 2-iminoimidazolidine by cyclization of 1-aryl-2-(4,6-dimethylpyrimidin-2-yl)guanidines with α-bromocarbonyl compounds

  摘要：

  Cyclization of 1-aryl-2-(4,6-dimethylpyrimidin-2-yl)guanidines with alpha-bromoacetophenone and ethyl bromoacetate gave derivatives of 1,4-diphenyl-1H-imidazole-2-amine and 2-amino-1-phenylimidazolidin-4-one respectively. The mechanism of the reaction was determined on the basis of quantum-chemical calculations, NOESY NMR spectroscopy, and X-ray crystallography.

  DOI：

  10.1007/s10593-011-0723-2

文献信息

• Synthesis of 2-iminoimidazolidin-4-one derivatives by cyclization of 2-aryl-1-(4,6-dimethylpyrimidin-2-yl)guanidines with ethyl bromoacetate, dimethyl acetylenedicarboxylate, and maleic anhydride
  作者：A. S. Shestakov、O. E. Sidorenko、Kh. S. Shikhaliev

  DOI：10.1007/s11172-007-0216-8

  日期：2007.7

  Derivatives of 2-iminoimidazolidin-4-one, (E)-methyl (2-imino-5-oxoimidazolidin-4-ylidene)acetate, and (2-imino-5-oxo-imidazolidin-4-yl)acetic acid were synthesized by the cyclization of 2-aryl-1-(4,6-dimethylpyrimidin-2-yl)guanidines with ethyl bromoacetate, dimethyl acetylenedicarboxylate, and maleic anhydride, respectively.

  2-亚氨基咪唑烷-4-酮、(E)-甲基(2-亚氨基-5-氧代咪唑烷-4-亚基)乙酸和(2-亚氨基-5-氧代-咪唑烷-4-基)乙酸的衍生物分别通过2-芳基-1-(4,6-二甲基嘧啶-2-基)胍与乙基溴乙酸酯、乙炔二羧酸二甲酯和马来酸酐的环化反应合成。