2-(4,4-dimethyl-2-oxoimidazolidin-1-yl)ethane-1-sulfonic acid | 1310794-64-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 2-(4,4-dimethyl-2-oxoimidazolidin-1-yl)ethane-1-sulfonic acid
• CAS: 1310794-64-9
• 化学式: C₇H₁₄N₂O₄S
• 分子量: 222.265
• InChiKey: NEUCMQLWZLZDRS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.32
• 重原子数：
  14.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  86.71
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2-(4,4-dimethyl-2-oxoimidazolidin-1-yl)ethane-1-sulfonic acid 在 次氯酸叔丁酯 作用下， 以 甲醇 为溶剂， 反应 1.0h， 以42%的产率得到2-(3-Chloro-4,4-dimethyl-2-oxoimidazolidin-1-yl)ethanesulfonic acid
  参考文献：
  名称：

  Novel N-chloroheterocyclic antimicrobials

  摘要：

  Antimicrobial compounds with broad-spectrum activity and minimal potential for antibiotic resistance are urgently needed. Toward this end, we prepared and investigated a novel series of N-chloroheterocycles. Of the compounds examined, the N-chloroamine series were found superior over N-chloroamide series in regards to exhibiting high antimicrobial activity, low cytotoxicity, and long-term aqueous stability. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.03.035
• 作为产物：
  描述：

  1-(2-hydroxyethyl)-4,4-dimethylimidazolidin-2-one 在 吡啶 、 双氧水 作用下， 以 甲酸 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 58.0h， 生成 2-(4,4-dimethyl-2-oxoimidazolidin-1-yl)ethane-1-sulfonic acid
  参考文献：
  名称：

  Novel N-chloroheterocyclic antimicrobials

  摘要：

  Antimicrobial compounds with broad-spectrum activity and minimal potential for antibiotic resistance are urgently needed. Toward this end, we prepared and investigated a novel series of N-chloroheterocycles. Of the compounds examined, the N-chloroamine series were found superior over N-chloroamide series in regards to exhibiting high antimicrobial activity, low cytotoxicity, and long-term aqueous stability. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.03.035