4-pyrazin-2-yl-benzoic acid ethyl ester | 259541-94-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-pyrazin-2-yl-benzoic acid ethyl ester
• 英文别名: Ethyl 4-(pyrazin-2-YL)benzoate；ethyl 4-pyrazin-2-ylbenzoate
• CAS: 259541-94-1
• 化学式: C₁₃H₁₂N₂O₂
• 分子量: 228.25
• InChiKey: HHFSLMPKSRKPFJ-UHFFFAOYSA-N

物化性质

• 沸点：
  366.2±32.0 °C(Predicted)
• 密度：
  1.167±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  52.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-氯吡嗪 、 4-溴苯甲酸乙酯 在 (2,2'-bipyridine)nickel(II) dibromide tetrabutylammonium tetrafluoroborate 、 铁粉 、 iron(II) bromide 作用下， 以 吡啶 、 N,N-二甲基甲酰胺 为溶剂， 以61%的产率得到4-pyrazin-2-yl-benzoic acid ethyl ester
  参考文献：
  名称：

  Electrochemical cross-coupling between functionalized aryl halides and 2-chloropyrimidine or 2-chloropyrazine catalyzed by nickel 2,2′-bipyridine complex

  摘要：

  2-Arylpyrimidines and 2-arylpyrazines have been obtained in good to high yields from 2-chloropyrimidine and 2-chloropyrazine and various functionalized aryl halides by electroreduction using an iron rod as the anode and a catalytic amount of nickel-bipyridine complex in a mixture of DMF and pyridine as solvent. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)02037-7

文献信息

• Electrochemical cross-coupling between functionalized aryl halides and 2-chloropyrimidine or 2-chloropyrazine catalyzed by nickel 2,2′-bipyridine complex
  作者：Corinne Gosmini、Jean Yves Nédélec、Jacques Périchon

  DOI：10.1016/s0040-4039(99)02037-7

  日期：2000.1

  2-Arylpyrimidines and 2-arylpyrazines have been obtained in good to high yields from 2-chloropyrimidine and 2-chloropyrazine and various functionalized aryl halides by electroreduction using an iron rod as the anode and a catalytic amount of nickel-bipyridine complex in a mixture of DMF and pyridine as solvent. (C) 1999 Elsevier Science Ltd. All rights reserved.