dimethyl 2-(2-(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-(tert-butyl)acetamido)-5-(tert-butylamino)furan-3,4-dicarboxylate | 1381804-59-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 呋喃
• 英文名称: dimethyl 2-(2-(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-(tert-butyl)acetamido)-5-(tert-butylamino)furan-3,4-dicarboxylate
• CAS: 1381804-59-6
• 化学式: C₂₂H₂₉BrN₄O₈
• 分子量: 557.398
• InChiKey: LVKYFFZVBOKBOI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.51
• 重原子数：
  35.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  152.94
• 氢给体数：
  2.0
• 氢受体数：
  10.0

反应信息

• 作为产物：
  描述：

  异氰酸叔丁酯 、 (5-溴-2,4-二氧代-3,4-二氢嘧啶-1(2H)-基)乙酸 、 丁炔二酸二甲酯 以 1,4-二氧六环 为溶剂， 反应 12.0h， 以95%的产率得到dimethyl 2-(2-(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-(tert-butyl)acetamido)-5-(tert-butylamino)furan-3,4-dicarboxylate
  参考文献：
  名称：

  Synthesis of novel uracil based 2,5-diaminofurans using multi-component reactions

  摘要：

  A simple synthesis of highly functionalized 2,5-diaminofurans based pyrimidine derivatives from 1-(carboxymethyl)uracil via a multi-component reaction is described. The reactive 1:1 intermediate produced from the reaction of tert-butyl isocyanide and dialkyl acetylenedicarboxylates was trapped at room temperature by 1-(carboxymethyl)uracil derivatives to yield polyfunctionalized furan rings in fairly good yields. (C) 2012 Robabeh Baharfar. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2012.04.011