N'-[9-((3aR,4R,6R,6aR)-2-Dimethylamino-6-hydroxymethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-yl)-6-oxo-6,9-dihydro-1H-purin-2-yl]-N,N-dimethyl-formamidine | 197441-94-4

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘌呤核苷
• 英文名称: N'-[9-((3aR,4R,6R,6aR)-2-Dimethylamino-6-hydroxymethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-yl)-6-oxo-6,9-dihydro-1H-purin-2-yl]-N,N-dimethyl-formamidine
• CAS: 197441-94-4
• 化学式: C₁₆H₂₃N₇O₅
• 分子量: 393.403
• InChiKey: LXUQUHFXHGIPJN-HTTXCKMZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.14
• 重原子数：
  28.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  130.33
• 氢给体数：
  2.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  N'-[9-((3aR,4R,6R,6aR)-2-Dimethylamino-6-hydroxymethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-yl)-6-oxo-6,9-dihydro-1H-purin-2-yl]-N,N-dimethyl-formamidine 在 甲醇 作用下， 以 吡啶 为溶剂， 反应 4.0h， 生成 N'-(9-{(2R,3R,4S,5R)-5-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-3,4-dihydroxy-tetrahydro-furan-2-yl}-6-oxo-6,9-dihydro-1H-purin-2-yl)-N,N-dimethyl-formamidine
  参考文献：
  名称：

  High yield protection of purine ribonucleosides for H-phosphonate RNA synthesis

  摘要：

  We report a new method for protecting nucleosides for hydrogen phosphonate RNA synthesis that gives very high yields for the purines. This method is based on our finding that, for adenosine and guanosine, silylation of a mixture of 2' and 3' H-phosphonates in the presence of DBU is highly selective for the 2' hydroxyl. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)01767-x
• 作为产物：
  描述：

  N,N-二甲基甲酰胺二甲基缩醛 、 鸟苷 以 吡啶 为溶剂， 反应 15.0h， 生成 N'-[9-((3aR,4R,6R,6aR)-2-Dimethylamino-6-hydroxymethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-yl)-6-oxo-6,9-dihydro-1H-purin-2-yl]-N,N-dimethyl-formamidine
  参考文献：
  名称：

  High yield protection of purine ribonucleosides for H-phosphonate RNA synthesis

  摘要：

  We report a new method for protecting nucleosides for hydrogen phosphonate RNA synthesis that gives very high yields for the purines. This method is based on our finding that, for adenosine and guanosine, silylation of a mixture of 2' and 3' H-phosphonates in the presence of DBU is highly selective for the 2' hydroxyl. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)01767-x