9-non-r-1-yl>adenine | 137896-22-1

• 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: 9-non-r-1-yl>adenine
• 英文别名: [(1S,2R,3S)-3-(6-aminopurin-9-yl)-1-(hydroxymethyl)-5,9-dithiaspiro[3.5]nonan-2-yl]methanol
• CAS: 137896-22-1
• 化学式: C₁₄H₁₉N₅O₂S₂
• 分子量: 353.469
• InChiKey: IWIAYVORKOBPOK-KKZNHRDASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  161
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2-<(1-Pyrrolidinyl)methylene>-1,3-dithiane 在 lithium aluminium tetrahydride 、 三氟化硼乙醚 、 sodium hydride 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 45.25h， 生成 9-non-r-1-yl>adenine
  参考文献：
  名称：

  Novel carbocyclic nucleosides related to oxetanocin

  摘要：

  Carbocyclic oxetanocin analogues 9-[trans-2,cis-3-bis(hydroxymethyl)-5,9-dithiaspiro-[3.5]non-r-1-yl]adenine, 9-[4,4-dimethyl-trans-2,cis-3-bis(hydroxymethyl)cyclobut-r-1-yl]adenine, and related compounds have been prepared by a strategy utilizing nucleophilic addition of heterocyclic bases to dimethyl 4,4-disubstituted 2-cyclobutene-1,2-dicarboxylates. The latter were prepared by a process involving [2 + 2] cycloadditions of enamines and dimethyl maleate.

  DOI：

  10.1021/jo00028a036

文献信息

• Novel carbocyclic nucleosides related to oxetanocin
  作者：Carl R. Johnson、Randall L. De Jong

  DOI：10.1021/jo00028a036

  日期：1992.1

  Carbocyclic oxetanocin analogues 9-[trans-2,cis-3-bis(hydroxymethyl)-5,9-dithiaspiro-[3.5]non-r-1-yl]adenine, 9-[4,4-dimethyl-trans-2,cis-3-bis(hydroxymethyl)cyclobut-r-1-yl]adenine, and related compounds have been prepared by a strategy utilizing nucleophilic addition of heterocyclic bases to dimethyl 4,4-disubstituted 2-cyclobutene-1,2-dicarboxylates. The latter were prepared by a process involving [2 + 2] cycloadditions of enamines and dimethyl maleate.