N-(2,6-dimethylphenyl)-2,5-dihydro-2-imino-4,5,5-trimethylfuran-3-carboxamide hydrochloride | 1370047-90-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: N-(2,6-dimethylphenyl)-2,5-dihydro-2-imino-4,5,5-trimethylfuran-3-carboxamide hydrochloride
• CAS: 1370047-90-7
• 化学式: C₁₆H₂₀N₂O₂*ClH
• 分子量: 308.808
• InChiKey: FHUQJHBTKLCKHR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.77
• 重原子数：
  21.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  62.18
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  N-(2,6-dimethylphenyl)-2,5-dihydro-2-imino-4,5,5-trimethylfuran-3-carboxamide hydrochloride 在 水 作用下， 反应 2.0h， 生成 N-(2,6-dimethylphenyl)-2,5-dihydro-4,5,5-trimethyl-2-oxofuran-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
• 作为产物：
  描述：

  3-羟基-3-甲基-2-丁酮 在 盐酸 、 sodium methylate 作用下， 以 甲醇 、 苯 为溶剂， 反应 5.0h， 生成 N-(2,6-dimethylphenyl)-2,5-dihydro-2-imino-4,5,5-trimethylfuran-3-carboxamide hydrochloride
  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