1-tert-butyl 2-methyl 4-(4-(4-(tert-butoxycarbonyl)-5-(methoxycarbonyl)-3,4-dihydro-2-hydroxypyrazin-1(2H)-yl)butyl)-5,6-dihydro-5-hydroxypyrazine-1,2(4H)-dicarboxylate | 1138808-24-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1-tert-butyl 2-methyl 4-(4-(4-(tert-butoxycarbonyl)-5-(methoxycarbonyl)-3,4-dihydro-2-hydroxypyrazin-1(2H)-yl)butyl)-5,6-dihydro-5-hydroxypyrazine-1,2(4H)-dicarboxylate
• 英文别名: 1-O-tert-butyl 6-O-methyl 3-hydroxy-4-[4-[2-hydroxy-5-methoxycarbonyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydropyrazin-1-yl]butyl]-2,3-dihydropyrazine-1,6-dicarboxylate
• CAS: 1138808-24-8
• 化学式: C₂₆H₄₂N₄O₁₀
• 分子量: 570.64
• InChiKey: GYNORTDNAWCSTE-UHFFFAOYSA-N

物化性质

• 沸点：
  681.2±55.0 °C(predicted)
• 密度：
  1.268±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  40
• 可旋转键数：
  13
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  159
• 氢给体数：
  2
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  4-(tert-butoxycarbonyl)-3-methoxycarbonyl-4H-[1,4]oxazine 、 四亚甲基二胺 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 20.0h， 以87%的产率得到1-tert-butyl 2-methyl 4-(4-(4-(tert-butoxycarbonyl)-5-(methoxycarbonyl)-3,4-dihydro-2-hydroxypyrazin-1(2H)-yl)butyl)-5,6-dihydro-5-hydroxypyrazine-1,2(4H)-dicarboxylate
  参考文献：
  名称：

  Nucleophilic Addition onto Methyl-4H-1,4-oxazine-3-carboxylate Moiety: Short Access to 1,4-Diazine Privileged Substructures

  摘要：

  To determine the synthetic potential of the original 1,4-oxazine ring, which appears as a valuable building block for the synthesis of more complex derivatives, Michael-type nucleophilic additions were studied. According to the nature of the nucleophile, either acyclic or cyclic derivatives were isolated. In the presence of primary amines, a short and efficient access to diazinic hemiaminals was described.

  DOI：

  10.1021/jo900291f

文献信息

• Nucleophilic Addition onto Methyl-4<i>H</i>-1,4-oxazine-3-carboxylate Moiety: Short Access to 1,4-Diazine Privileged Substructures
  作者：Elise Claveau、Isabelle Gillaizeau、Justyna Kalinowska-Tluscik、Pascal Bouyssou、Gérard Coudert

  DOI：10.1021/jo900291f

  日期：2009.4.3

  To determine the synthetic potential of the original 1,4-oxazine ring, which appears as a valuable building block for the synthesis of more complex derivatives, Michael-type nucleophilic additions were studied. According to the nature of the nucleophile, either acyclic or cyclic derivatives were isolated. In the presence of primary amines, a short and efficient access to diazinic hemiaminals was described.