(Z)-N-methyl-C-(uracil-5-yl) nitrone | 601501-34-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: (Z)-N-methyl-C-(uracil-5-yl) nitrone
• CAS: 601501-34-2；193530-95-9
• 化学式: C₆H₇N₃O₃
• 分子量: 169.14
• InChiKey: QEBMTMDSAZWYJN-OQFOIZHKSA-N

物化性质

• 熔点：
  285-287 °C
• 密度：
  1.437±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.38
• 重原子数：
  12.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  91.79
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  烯丙醇 、 (Z)-N-methyl-C-(uracil-5-yl) nitrone 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以44%的产率得到(3'RS,5'RS)-5-[5'-hydroxymethyl-2'-methyl-1',2'-isoxazolidin-3'-yl]uracil
  参考文献：
  名称：

  Isoxazolidine analogues of pseudouridine: a new class of modified nucleosides

  摘要：

  A new class of modified C-nucleosides has been synthesized according to the 1,3-dipolar cycloaddition methodology. The obtained compounds are structurally related to natural pseudouridine, where the sugar moiety is replaced by an isoxazolidine ring. Different experimental conditions, and the effect of additives on the cycloaddition process, have been examined; the best results were obtained when the cycloaddition reaction was performed under microwave irradiation (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(03)00689-6
• 作为产物：
  描述：

  5-羟甲基脲嘧啶 在 ammonium cerium(IV) nitrate 、 sodium acetate 作用下， 以 水 为溶剂， 生成 (Z)-N-methyl-C-(uracil-5-yl) nitrone
  参考文献：
  名称：

  Isoxazolidine analogues of pseudouridine: a new class of modified nucleosides

  摘要：

  A new class of modified C-nucleosides has been synthesized according to the 1,3-dipolar cycloaddition methodology. The obtained compounds are structurally related to natural pseudouridine, where the sugar moiety is replaced by an isoxazolidine ring. Different experimental conditions, and the effect of additives on the cycloaddition process, have been examined; the best results were obtained when the cycloaddition reaction was performed under microwave irradiation (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(03)00689-6