2,4-(bis-3-bromomethylpyrazole)-pyrimidine | 929257-96-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2,4-(bis-3-bromomethylpyrazole)-pyrimidine
• 英文别名: 2,4-Bis[3-(bromomethyl)pyrazol-1-yl]pyrimidine
• CAS: 929257-96-5
• 化学式: C₁₂H₁₀Br₂N₆
• 分子量: 398.06
• InChiKey: DHRJVMYOPVSTTE-UHFFFAOYSA-N

物化性质

• 沸点：
  580.9±60.0 °C(Predicted)
• 密度：
  1.93±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  61.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,4-(bis-3-bromomethylpyrazole)-pyrimidine 在 sodium carbonate 、 三氟乙酸 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 生成 2-[[1-[2-[3-[[Bis(carboxymethyl)amino]methyl]pyrazol-1-yl]pyrimidin-4-yl]pyrazol-3-yl]methyl-(carboxymethyl)amino]acetic acid
  参考文献：
  名称：

  Lanthanide complexes of new polyaminocarboxylates with the bis-pyrazolylpyrimidine chromophore

  摘要：

  We describe the straightforward synthesis of a new polyacid ligand derived from the bis-pyrazolyipyrimidine motif that displayed excellent properties concerning its ability to sensitize the emission of lanthanides. Emission lifetimes were in the range of ms and quantum yields were 0.15 and 0.85 for Eu and Tb, respectively, among the largest measured by us in related compounds, thus making this ligand an excellent candidate for its application in multitagging time-resolved fluoroimmunoassays. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.12.089
• 作为产物：
  描述：

  2,4-(bis-3-methylpyrazole)-pyrimidine 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 四氯化碳 为溶剂， 以19%的产率得到2,4-(bis-3-bromomethylpyrazole)-pyrimidine
  参考文献：
  名称：

  Lanthanide complexes of new polyaminocarboxylates with the bis-pyrazolylpyrimidine chromophore

  摘要：

  We describe the straightforward synthesis of a new polyacid ligand derived from the bis-pyrazolyipyrimidine motif that displayed excellent properties concerning its ability to sensitize the emission of lanthanides. Emission lifetimes were in the range of ms and quantum yields were 0.15 and 0.85 for Eu and Tb, respectively, among the largest measured by us in related compounds, thus making this ligand an excellent candidate for its application in multitagging time-resolved fluoroimmunoassays. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.12.089