(2S)-3-(6-aminopurin-9-yl)-2-hydroxypropanal | 142761-96-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: (2S)-3-(6-aminopurin-9-yl)-2-hydroxypropanal
• CAS: 142761-96-4
• 化学式: C₈H₉N₅O₂
• 分子量: 207.192
• InChiKey: BRCATLFVPNJJAQ-YFKPBYRVSA-N

物化性质

• 沸点：
  497.2±55.0 °C(Predicted)
• 密度：
  1.71±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.3
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  107
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (2S)-3-(6-aminopurin-9-yl)-2-hydroxypropanal 在 sodium tetrahydroborate 作用下， 以86%的产率得到9-[(2S)-2,3-二羟基丙基]-9H-嘌呤-6-胺
  参考文献：
  名称：

  A new strategy for the synthesis of nucleoside analogs based on enzyme-catalyzed aldol reactions

  摘要：

  A new synthetic approach to nucleoside analogs based on enzyme-catalyzed aldol condensations has been demonstrated in the synthesis of 6-adenyl-6-deoxy-D-fructose and 6-adenyl-6-deoxy-L-sorbose.

  DOI：

  10.1021/jo00044a005
• 作为产物：
  描述：

  (S)-3-adenyl-2-hydroxypropanal diethyl acetal 在 氢气 作用下， 生成 (2S)-3-(6-aminopurin-9-yl)-2-hydroxypropanal
  参考文献：
  名称：

  A new strategy for the synthesis of nucleoside analogs based on enzyme-catalyzed aldol reactions

  摘要：

  A new synthetic approach to nucleoside analogs based on enzyme-catalyzed aldol condensations has been demonstrated in the synthesis of 6-adenyl-6-deoxy-D-fructose and 6-adenyl-6-deoxy-L-sorbose.

  DOI：

  10.1021/jo00044a005

文献信息

• A new strategy for the synthesis of nucleoside analogs based on enzyme-catalyzed aldol reactions
  作者：Kevin K. C. Liu、Chi Huey Wong

  DOI：10.1021/jo00044a005

  日期：1992.8

  A new synthetic approach to nucleoside analogs based on enzyme-catalyzed aldol condensations has been demonstrated in the synthesis of 6-adenyl-6-deoxy-D-fructose and 6-adenyl-6-deoxy-L-sorbose.