diethyl 2-(N-(tert-butyl)-2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamido)-5-(tert-butylamino)furan-3,4-dicarboxylate | 1381794-32-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: diethyl 2-(N-(tert-butyl)-2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamido)-5-(tert-butylamino)furan-3,4-dicarboxylate
• CAS: 1381794-32-6
• 化学式: C₁₂H₁₂ClN₃O₃
• 分子量: 281.699
• InChiKey: QKRPPPHWFPXQPK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.14
• 重原子数：
  19.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  81.19
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  5-氯-3-甲基-1-苯基吡唑-4-甲醛 、 硝基甲烷 在 3-methyl-4-[(2-phenyltriazol-4-yl)methylideneamino]-1H-1,2,4-triazole-5-thione 、 manganese(II) acetate 作用下， 以 乙醇 为溶剂， 以72%的产率得到diethyl 2-(N-(tert-butyl)-2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamido)-5-(tert-butylamino)furan-3,4-dicarboxylate
  参考文献：
  名称：

  Mn(OAc)2/Schiff base as a new efficient catalyst system for the Henry reaction of nitroalkanes with aldehydes

  摘要：

  A series of novel Schiff bases bearing triazole structure were synthesized and characterized by IR and NMR. Mn(OAc)(2)/Schiff base efficiently catalyzed Henry reaction of nitroalkanes with aldehydes to produce the corresponding products of beta-nitroalcohols, under mild conditions with high yields (up to 99%). A reaction mechanism is proposed based on the experimental results. (C) 2012 Zheng Feng Xie. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2012.04.018