1-丁基-3-(H-咪唑并[1,2-a]吡啶-2-基)脲 | 1019328-64-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并吡啶类
• 中文名称: 1-丁基-3-(H-咪唑并[1,2-a]吡啶-2-基)脲
• 英文名称: 1-butyl-3-(H-imidazo[1,2-a]pyridin-2-yl)urea
• 英文别名: Urea,n-butyl-n'-imidazo[1,2-a]pyridin-2-yl-；1-butyl-3-imidazo[1,2-a]pyridin-2-ylurea
• CAS: 1019328-64-3
• 化学式: C₁₂H₁₆N₄O
• 分子量: 232.285
• InChiKey: HOBXXLKWXBVIOQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  58.4
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-氨基吡啶 、 1-(2-bromoacetyl)-3-butylurea 以 乙醇 为溶剂， 反应 8.0h， 以36%的产率得到1-丁基-3-(H-咪唑并[1,2-a]吡啶-2-基)脲
  参考文献：
  名称：

  Five-membered heterocyclic ureas suitable for the donor–donor–acceptor hydrogen-bonding modules

  摘要：

  Five-membered heterocyclic ureas are capable of forming the unfolded conformer without preorganization by using the intramolecular hydrogen bond, and are suitable for the DDA hydrogen-bonding modules. In contrast, six-membered heterocyclic ureas are destabilized by an effect of steric repulsion due to the closer distance of CHc center dot center dot center dot O and their conformational equilibriums are biased toward the stable folded conformer. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.01.068

文献信息

• Five-membered heterocyclic ureas suitable for the donor–donor–acceptor hydrogen-bonding modules
  作者：Yosuke Hisamatsu、Yuki Fukumi、Naohiro Shirai、Shin-ichi Ikeda、Kazunori Odashima

  DOI：10.1016/j.tetlet.2008.01.068

  日期：2008.3

  Five-membered heterocyclic ureas are capable of forming the unfolded conformer without preorganization by using the intramolecular hydrogen bond, and are suitable for the DDA hydrogen-bonding modules. In contrast, six-membered heterocyclic ureas are destabilized by an effect of steric repulsion due to the closer distance of CHc center dot center dot center dot O and their conformational equilibriums are biased toward the stable folded conformer. (c) 2008 Elsevier Ltd. All rights reserved.