4,5-bis(3-ethylureido)-1,3-dimethyl-imidazolidin-2-one | 300392-59-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: 4,5-bis(3-ethylureido)-1,3-dimethyl-imidazolidin-2-one
• 英文别名: 1,3-dimethyl-4,5-bis(3-ethylureido)imidazolidin-2-one；1,1'-(1,3-Dimethyl-2-oxoimidazolidine-4,5-diyl)bis(3-ethylurea)；1-ethyl-3-[5-(ethylcarbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea
• CAS: 300392-59-0
• 化学式: C₁₁H₂₂N₆O₃
• 分子量: 286.334
• InChiKey: YQLCSIGPZWQESQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.1
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  106
• 氢给体数：
  4
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4,5-bis(3-ethylureido)-1,3-dimethyl-imidazolidin-2-one 在 sodium nitrate 、 硫酸 作用下， 以 水 为溶剂， 以97%的产率得到1,3-dimethyl-4,5-bis(3-nitroso-3-ethylureido)imidazolidin-2-one
  参考文献：
  名称：

  A new approach to the synthesis of 1,3-dimethyl-4,5-disubstituted imidazolidin-2-ones

  摘要：

  1, 3 -Dimethyl-4,5-di(ureido)-substituted imidazolidin-2-ones have been synthesised by the nitrosation of 1,3-dimethyl-4,5-di(3-ethylureido)imidazolidin-2-one followed by the reactions of amines with the resulting 1,3-dimethyl-4,5-di(3-nitroso3-ethylureido)imidazolidin-2-one, and the structure of 1,3-dimethyl-4,5-di(3-ethylureido)imidazolidin-2-one has been confirmed by X-ray diffraction analysis.

  DOI：

  10.1016/j.mencom.2008.01.017
• 作为产物：
  描述：

  1,3-dimethyl-4,5-bis(3-nitroso-3-ethylureido)imidazolidin-2-one 在 乙胺 作用下， 以 水 为溶剂， 反应 3.67h， 以88%的产率得到4,5-bis(3-ethylureido)-1,3-dimethyl-imidazolidin-2-one
  参考文献：
  名称：

  A new approach to the synthesis of 1,3-dimethyl-4,5-disubstituted imidazolidin-2-ones

  摘要：

  1, 3 -Dimethyl-4,5-di(ureido)-substituted imidazolidin-2-ones have been synthesised by the nitrosation of 1,3-dimethyl-4,5-di(3-ethylureido)imidazolidin-2-one followed by the reactions of amines with the resulting 1,3-dimethyl-4,5-di(3-nitroso3-ethylureido)imidazolidin-2-one, and the structure of 1,3-dimethyl-4,5-di(3-ethylureido)imidazolidin-2-one has been confirmed by X-ray diffraction analysis.

  DOI：

  10.1016/j.mencom.2008.01.017

文献信息

• Two-step α-ureidoalkylation of ureas with 4,5-dihydroxyimidazolidin-2-ones
  作者：A. N. Kravchenko、G. A. Gazieva、A. S. Sigachev、E. Yu. Maksareva、K. A. Lyssenko、N. N. Makhova

  DOI：10.1007/s11172-007-0024-1

  日期：2007.1

  Two-step α-ureidoalkylation of ureas with various 4,5-dihydroxyimidazolidin-2-ones gave novel 1,3-dialkyl-4,5-bis(3-alkylureido)-, 1,3-dialkyl-4,5-bis[3-(2-pyrimidyl)ureido]-, or 1,3-dialkyl-4,5-bis(3,3-dialkylureido)imidazolidin-2-ones and ensembles of three imidazolidine rings. The structure of 4,5-bis(2-oxoimidazolidin-1-yl)imidazolidin-2-one was confirmed by X-ray diffraction data.

  对各种4,5-二羟基咪唑烷-2-酮进行两步α-脲基烷基化反应，得到了新型的1,3-二烷基-4,5-双(3-烷基脲基)-、1,3-二烷基-4,5-双[3-(2-嘧啶基)脲基]-或1,3-二烷基-4,5-双(3,3-二烷基脲基)咪唑烷-2-酮以及三种咪唑烷环的集合。通过X射线衍射数据确认了4,5-双(2-氧咪唑烷-1-基)咪唑烷-2-酮的结构。