[(E)-[amino(pyrazin-2-yl)methylidene]amino] benzoate | 114346-87-1

• 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: [(E)-[amino(pyrazin-2-yl)methylidene]amino] benzoate
• CAS: 114346-87-1
• 化学式: C₁₂H₁₀N₄O₂
• 分子量: 242.237
• InChiKey: MQBIEASSAPHAMF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.95
• 重原子数：
  18.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  90.46
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  [(E)-[amino(pyrazin-2-yl)methylidene]amino] benzoate 以 N,N-二甲基甲酰胺 为溶剂， 200.0 ℃ 、900.01 kPa 条件下， 反应 0.17h， 以48 mg的产率得到5-phenyl-3-(2-pyrazinyl)-1,2,4-oxadiazole
  参考文献：
  名称：

  Rapid Multistep Synthesis of 1,2,4-Oxadiazoles in a Single Continuous Microreactor Sequence

  摘要：

  A general method for the synthesis of bis-substituted 1,2,4-oxadiazoles from readily available aryinitriles and activated carbonyls in a single continuous microreactor sequence is described. The synthesis incorporates three sequential microreactors to produce 1,2,4-oxadiazoles in similar to 30 min in quantities (40-80 mg) sufficient for full characterization and rapid library supply.

  DOI：

  10.1021/jo801152c
• 作为产物：
  描述：

  苯甲酰氯 、 吡嗪-2-甲胺肟 以 N,N-二甲基甲酰胺 为溶剂， 生成 [(E)-[amino(pyrazin-2-yl)methylidene]amino] benzoate
  参考文献：
  名称：

  Rapid Multistep Synthesis of 1,2,4-Oxadiazoles in a Single Continuous Microreactor Sequence

  摘要：

  A general method for the synthesis of bis-substituted 1,2,4-oxadiazoles from readily available aryinitriles and activated carbonyls in a single continuous microreactor sequence is described. The synthesis incorporates three sequential microreactors to produce 1,2,4-oxadiazoles in similar to 30 min in quantities (40-80 mg) sufficient for full characterization and rapid library supply.

  DOI：

  10.1021/jo801152c

文献信息

• PANCECHOWSKA-KSEPKO D.; FOKS H.; JANOWIEC M.; ZWOLSKA-KWIEK Z., ACTA POL. PHARM., 43,(1986) N 3, 211-217
  作者：PANCECHOWSKA-KSEPKO D.、 FOKS H.、 JANOWIEC M.、 ZWOLSKA-KWIEK Z.

  DOI：——

  日期：——
• Rapid Multistep Synthesis of 1,2,4-Oxadiazoles in a Single Continuous Microreactor Sequence
  作者：Daniel Grant、Russell Dahl、Nicholas D. P. Cosford

  DOI：10.1021/jo801152c

  日期：2008.9.19

  A general method for the synthesis of bis-substituted 1,2,4-oxadiazoles from readily available aryinitriles and activated carbonyls in a single continuous microreactor sequence is described. The synthesis incorporates three sequential microreactors to produce 1,2,4-oxadiazoles in similar to 30 min in quantities (40-80 mg) sufficient for full characterization and rapid library supply.