1-methyl-3-chloro imidazolidone

• 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: 1-methyl-3-chloro imidazolidone
• 英文别名: 1-chloro-3-methylimidazolidin-2-one
• 化学式: C₄H₇ClN₂O
• 分子量: 134.565
• InChiKey: JSWOYFGYFZSDAS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.51
• 重原子数：
  8.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  23.55
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  磷酸三乙酯 、 1-methyl-3-chloro imidazolidone 以 乙腈 为溶剂， 反应 1.0h， 以97%的产率得到1-methyl-3-(diethylphosphono)-2-imidazolidone
  参考文献：
  名称：

  Fragmentation and rearrangement patterns of phospho-ureas. Possible consequences for biotin activation

  摘要：

  AbstractAnalysis by electron impact and metastable ions (MIKE technique) of the fragmentation patterns for one acyclic and two cyclic N‐phosphorylated ureas reveals for the first case an isomerization from nitrogen to the ureido oxygen atom of the phosphoryl group and subsequent fragmentation. For the other two cases, fragments result from PN bond breaking and ring‐opening. Possible involvement in the biotin‐ATP activation process is discussed.

  DOI：

  10.1002/oms.1210240903
• 作为产物：
  描述：

  1-甲基-2-咪唑啉酮 在 氯 作用下， 以 水 为溶剂， 反应 0.25h， 以70%的产率得到1-methyl-3-chloro imidazolidone
  参考文献：
  名称：

  Fragmentation and rearrangement patterns of phospho-ureas. Possible consequences for biotin activation

  摘要：

  AbstractAnalysis by electron impact and metastable ions (MIKE technique) of the fragmentation patterns for one acyclic and two cyclic N‐phosphorylated ureas reveals for the first case an isomerization from nitrogen to the ureido oxygen atom of the phosphoryl group and subsequent fragmentation. For the other two cases, fragments result from PN bond breaking and ring‐opening. Possible involvement in the biotin‐ATP activation process is discussed.

  DOI：

  10.1002/oms.1210240903

文献信息

• Fragmentation and rearrangement patterns of phospho-ureas. Possible consequences for biotin activation
  作者：Hachemi Belghith、Casimir Blonski、Alain Klaébé、Jacques Périé、Jean Roussel

  DOI：10.1002/oms.1210240903

  日期：1989.9

  AbstractAnalysis by electron impact and metastable ions (MIKE technique) of the fragmentation patterns for one acyclic and two cyclic N‐phosphorylated ureas reveals for the first case an isomerization from nitrogen to the ureido oxygen atom of the phosphoryl group and subsequent fragmentation. For the other two cases, fragments result from PN bond breaking and ring‐opening. Possible involvement in the biotin‐ATP activation process is discussed.