7-(ethoxycarbonyl)pterine | 31010-64-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 蝶啶及其衍生物
• 英文名称: 7-(ethoxycarbonyl)pterine
• 英文别名: 2-amino-4-oxo-3,4-dihydro-pteridine-7-carboxylic acid ethyl ester；ethyl 2-amino-4-oxo-3H-pteridine-7-carboxylate
• CAS: 31010-64-7
• 化学式: C₉H₉N₅O₃
• 分子量: 235.202
• InChiKey: OFRJJJHWUQIXCI-UHFFFAOYSA-N

物化性质

• 熔点：
  >340 °C (decomp)
• 沸点：
  400.1±55.0 °C(Predicted)
• 密度：
  1.72±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  120
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  丙酮酸乙酯 、 2-氨基-4-羟基蝶啶 在 叔丁基过氧化氢 、 硫酸 、 iron(II) sulfate 作用下， 以 水 为溶剂， 反应 0.05h， 生成 7-(ethoxycarbonyl)pterine
  参考文献：
  名称：

  Acyl radical insertion for the direct formation of new seven-substituted pterin analogs

  摘要：

  A variety of pterin molecules were synthesized via an under-utilized acyl radical insertion, using aldehydes and alpha-keto esters as the acyl source. These reactions gave complete regiospecificity for the 7-isomer, with reaction times ranging in minutes, often with instantaneous product precipitation. This approach led to the construction of new pterin analogs unaccessible via traditional Friedel-Crafts acylation. The compounds were characterized by NMR spectroscopy and high-resolution mass spectroscopy. Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2010.03.008

文献信息

• Acyl radical insertion for the direct formation of new seven-substituted pterin analogs
  作者：Jeff M. Pruet、Jon D. Robertus、Eric V. Anslyn

  DOI：10.1016/j.tetlet.2010.03.008

  日期：2010.5

  A variety of pterin molecules were synthesized via an under-utilized acyl radical insertion, using aldehydes and alpha-keto esters as the acyl source. These reactions gave complete regiospecificity for the 7-isomer, with reaction times ranging in minutes, often with instantaneous product precipitation. This approach led to the construction of new pterin analogs unaccessible via traditional Friedel-Crafts acylation. The compounds were characterized by NMR spectroscopy and high-resolution mass spectroscopy. Published by Elsevier Ltd.