[2-(tert-butylamino)-4-(4-methyl-5-nitro-1H-imidazol-1-yl)-5-phenyl-3-furyl]phenyl methanone

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [2-(tert-butylamino)-4-(4-methyl-5-nitro-1H-imidazol-1-yl)-5-phenyl-3-furyl]phenyl methanone
• 英文别名: [2-(Tert-butylamino)-4-(5-methyl-4-nitroimidazol-1-yl)-5-phenylfuran-3-yl]-phenylmethanone
• 化学式: C₂₅H₂₄N₄O₄
• 分子量: 444.49
• InChiKey: VVVRUHQWZOOBHH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  106
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  异氰酸叔丁酯 、 4-甲基-5-硝基咪唑 、 二苯甲酰基乙炔 以 乙醚 为溶剂， 反应 24.0h， 以95%的产率得到[2-(tert-butylamino)-4-(4-methyl-5-nitro-1H-imidazol-1-yl)-5-phenyl-3-furyl]phenyl methanone
  参考文献：
  名称：

  Reaction between alkyl isocyanides and dibenzoylacetylene in the presence of strong NH-acids: synthesis of highly functionalized aminofurans

  摘要：

  Protonation of the highly reactive 1:1 intermediates produced in the reaction between alkyl isocyanides and dibenzoylacetylene by saccharin. phthalimide, or 4-methyl-5-nitroimidazole, leads to vinylnitrilium cations, which undergo carbon-centered Michael type addition with the conjugate base of the NH-acid to produce highly functionalized aminofuran derivatives. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(03)00990-6

文献信息

• Reaction between alkyl isocyanides and dibenzoylacetylene in the presence of strong NH-acids: synthesis of highly functionalized aminofurans
  作者：Issa Yavari、Abdolali Alizadeh、Mohammad Anary-Abbasinejad、Hamid R Bijanzadeh

  DOI：10.1016/s0040-4020(03)00990-6

  日期：2003.8

  Protonation of the highly reactive 1:1 intermediates produced in the reaction between alkyl isocyanides and dibenzoylacetylene by saccharin. phthalimide, or 4-methyl-5-nitroimidazole, leads to vinylnitrilium cations, which undergo carbon-centered Michael type addition with the conjugate base of the NH-acid to produce highly functionalized aminofuran derivatives. (C) 2003 Elsevier Ltd. All rights reserved.