3-(2,6-dimethoxy-3-pyridyl)-5-(3-pyridyl)-2,4-dihydro-1,2,4,3-triazaborole

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-(2,6-dimethoxy-3-pyridyl)-5-(3-pyridyl)-2,4-dihydro-1,2,4,3-triazaborole
• 英文别名: 3-(2,6-Dimethoxypyridin-3-yl)-5-pyridin-3-yl-1,2-dihydro-1,2,4,3-triazaborole；3-(2,6-dimethoxypyridin-3-yl)-5-pyridin-3-yl-1,2-dihydro-1,2,4,3-triazaborole
• 化学式: C₁₃H₁₄BN₅O₂
• 分子量: 283.097
• InChiKey: NLVRSPBRKYOHHK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.26
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  80.7
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3-氰基吡啶 在 hydrazine hydrate 作用下， 以 乙醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 171.0h， 生成 3-(2,6-dimethoxy-3-pyridyl)-5-(3-pyridyl)-2,4-dihydro-1,2,4,3-triazaborole
  参考文献：
  名称：

  Synthesis and Stability of Boratriazaroles

  摘要：

  We describe the synthesis and stability analysis of novel boratriazaroles that can be viewed as bioisosteres of imidazoles or pyrazoles. These heterocycles could conveniently be obtained by condensing a boronic acid and amidrazone 1 in various solvents. A detailed stability analysis of selected compounds at different pH values as a function of time led to the identification of steric hindrance around the boron atom as a key element for stabilization.

  DOI：

  10.1021/ol5032552

文献信息

• Synthesis and Stability of Boratriazaroles
  作者：Didier Zurwerra、Vincent Quetglas、Daniel P. Kloer、Peter Renold、Thomas Pitterna

  DOI：10.1021/ol5032552

  日期：2015.1.2

  We describe the synthesis and stability analysis of novel boratriazaroles that can be viewed as bioisosteres of imidazoles or pyrazoles. These heterocycles could conveniently be obtained by condensing a boronic acid and amidrazone 1 in various solvents. A detailed stability analysis of selected compounds at different pH values as a function of time led to the identification of steric hindrance around the boron atom as a key element for stabilization.