[Bis-(4-methoxy-phenyl)-phenyl-methyl]-[9-((2R,4S,5R)-4-methoxy-5-methoxymethyl-tetrahydro-furan-2-yl)-9H-purin-6-yl]-amine | 130999-20-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: [Bis-(4-methoxy-phenyl)-phenyl-methyl]-[9-((2R,4S,5R)-4-methoxy-5-methoxymethyl-tetrahydro-furan-2-yl)-9H-purin-6-yl]-amine
• CAS: 130999-20-1
• 化学式: C₃₃H₃₅N₅O₅
• 分子量: 581.671
• InChiKey: XZCFNGPTZORXDC-ZGIBFIJWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  43.0
• 可旋转键数：
  11.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  101.78
• 氢给体数：
  1.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  [Bis-(4-methoxy-phenyl)-phenyl-methyl]-[9-((2R,4S,5R)-4-methoxy-5-methoxymethyl-tetrahydro-furan-2-yl)-9H-purin-6-yl]-amine 在 三氯乙酸 作用下， 以 氯仿 为溶剂， 以85%的产率得到3',5'-di-O-methyl-2'-deoxyadenosine
  参考文献：
  名称：

  Unimolecular depurination of protonated deoxyribonucleosides in the gas phase: A fast atom bombardment tandem mass spectrometric investigation

  摘要：

  AbstractThe spontaneous or collision‐induced unimolecular dissociations of base‐protonated 2′‐deoxyribonucleosides afford, in the gas phase and in the absence of solvent, high yields of protonated nucleobases. The release of neutral bases corresponds to a high‐energy reaction path and does not compete with the formation of the protonated bases. A determinant solvent effect has to be invoked to explain the opposite behaviour, which is exhibited by the same precursors, dissociating unimolecularly, in aqueous acidic solution.

  DOI：

  10.1002/oms.1210250906
• 作为产物：
  描述：

  N6-dimethoxytrityl-2'-deoxyadenosine 、 碘甲烷 在 正丁基锂 作用下， 生成 [Bis-(4-methoxy-phenyl)-phenyl-methyl]-[9-((2R,4S,5R)-4-methoxy-5-methoxymethyl-tetrahydro-furan-2-yl)-9H-purin-6-yl]-amine
  参考文献：
  名称：

  Unimolecular depurination of protonated deoxyribonucleosides in the gas phase: A fast atom bombardment tandem mass spectrometric investigation

  摘要：

  AbstractThe spontaneous or collision‐induced unimolecular dissociations of base‐protonated 2′‐deoxyribonucleosides afford, in the gas phase and in the absence of solvent, high yields of protonated nucleobases. The release of neutral bases corresponds to a high‐energy reaction path and does not compete with the formation of the protonated bases. A determinant solvent effect has to be invoked to explain the opposite behaviour, which is exhibited by the same precursors, dissociating unimolecularly, in aqueous acidic solution.

  DOI：

  10.1002/oms.1210250906