N,N'-diisopropyl-O-[1-(pyrid-3-yl)methyl]isourea

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: N,N'-diisopropyl-O-[1-(pyrid-3-yl)methyl]isourea
• 英文别名: pyridin-3-ylmethyl N,N'-di(propan-2-yl)carbamimidate
• 化学式: C₁₃H₂₁N₃O
• 分子量: 235.329
• InChiKey: WFOUSKOOHFGUHV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-吡啶甲醇 、 N,N'-二异丙基碳二亚胺 在 copper(l) chloride 作用下， 反应 36.0h， 生成 N,N'-diisopropyl-O-[1-(pyrid-3-yl)methyl]isourea
  参考文献：
  名称：

  O,N,N‘-Trialkylisoureas as Mild Activating Reagents for N-Acylsulfonamide Anchors

  摘要：

  Prior to detachment of compounds synthesized on sulfonamide based safety-catch linkers, the molecular anchor has to be activated. This is achieved by alkylation of the nitrogen atom of the N-acylsulfonamide using different established protocols. As an addition to the existing repertoire of activating reagents, we suggest the use of O,N,N'-trialkylisoureas. Besides the demonstration of the feasibility of these mild alkylating agents for this purpose, custom-tailored novel O,N,N'-trialkylisoureas prepared from electron-deficient alcohols are reported.

  DOI：

  10.1021/ol052351u