5-iodo-1-methyl-2-pivaloylamino-4-pyrimidinone | 1193570-03-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 5-iodo-1-methyl-2-pivaloylamino-4-pyrimidinone
• CAS: 1193570-03-4
• 化学式: C₁₀H₁₄IN₃O₂
• 分子量: 335.145
• InChiKey: IWKFEBZHDXHMBZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.37
• 重原子数：
  16.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  63.99
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  5-iodo-1-methyl-2-pivaloylamino-4-pyrimidinone 、 1,4-脱水-2-脱氧-3-O-[(叔丁基)二苯基硅]-D-赤式-戊-1-烯糖醇 在 三正丁胺 、 三苯胂 、 palladium diacetate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 72.0h， 以44%的产率得到N-{5-[4-(tert-butyldimethylsilanyloxy)-5-hydroxymethyl-2,5-dihydrofuran-2-yl]-1-methyl-4-oxo-1,2,3,4-tetrahydropyrimidin-2-yl}-2,2-dimethylpropionamide
  参考文献：
  名称：

  A Convenient Synthesis ofN,N′-dibenzyl-2,4-diaminopyrimidine-2′-deoxyribonucleoside and 1-Methyl-2′-Deoxypseudoisocytidine

  摘要：

  The syntheses of N,N'-dibenzyl-2,4-diaminopyrimidine-2'-deoxyibonucleoside and 1-methyl-2'-deoxypseudoisocytidine via Heck coupling are described. A survey of the attempts to use the Heck coupling to synthesize N,N'-dibenzyl-2,4-diaminopyrimidine-2'-deoxyibonucleoside is provided, indicating a remarkable diversity in outcome depending on the specific heterocyclic partner used.

  DOI：

  10.1080/15257770902946090
• 作为产物：
  描述：

  5-iodo-1-methylisocytosine 、 三甲基乙酰氯 在 吡啶 、 4-二甲氨基吡啶 作用下， 反应 18.0h， 以72%的产率得到5-iodo-1-methyl-2-pivaloylamino-4-pyrimidinone
  参考文献：
  名称：

  A Convenient Synthesis ofN,N′-dibenzyl-2,4-diaminopyrimidine-2′-deoxyribonucleoside and 1-Methyl-2′-Deoxypseudoisocytidine

  摘要：

  The syntheses of N,N'-dibenzyl-2,4-diaminopyrimidine-2'-deoxyibonucleoside and 1-methyl-2'-deoxypseudoisocytidine via Heck coupling are described. A survey of the attempts to use the Heck coupling to synthesize N,N'-dibenzyl-2,4-diaminopyrimidine-2'-deoxyibonucleoside is provided, indicating a remarkable diversity in outcome depending on the specific heterocyclic partner used.

  DOI：

  10.1080/15257770902946090