2-(dicyanomethylene)-2,5-dihydro-4,5,5-trimethyl-Nphenylfuran-3-carboxamide | 1370047-97-4

• 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: 2-(dicyanomethylene)-2,5-dihydro-4,5,5-trimethyl-Nphenylfuran-3-carboxamide
• 英文别名: 2-(dicyanomethylene)-2,5-dihydro-4,5,5-trimethyl-N-phenylfuran-3-carboxamide；2-(dicyanomethylidene)-4,5,5-trimethyl-N-phenylfuran-3-carboxamide
• CAS: 1370047-97-4
• 化学式: C₁₇H₁₅N₃O₂
• 分子量: 293.325
• InChiKey: WTPSTZUKNTWMKD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  85.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2,5-dihydro-2-imino-4,5,5-trimethyl-N-phenylfuran-3-carboxamide hydrochloride 在 potassium carbonate 、 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 生成 2-(dicyanomethylene)-2,5-dihydro-4,5,5-trimethyl-Nphenylfuran-3-carboxamide
  参考文献：
  名称：

  Synthesis of novel N-aryl-2,5-dihydro-2-iminofuran-3-carboxamides and their chemical transformations

  摘要：

  Novel N-aryl-2,5-dihydro-2-iminofuran-3-carboxamides have been synthesized by condensation of tertiary alpha-hydroxyketones with N-aryl-2-cyanoacetamides. The obtained products were transformed to corresponding iminium chlorides, hydrogen sulfates, 2-oxo and 2-(dicyanomethylene) derivatives. All new compounds were characterized by NMR and IR spectral data and elemental analysis.

  DOI：

  10.1007/s00706-011-0615-2