8-[(3aR,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-aminopyrimido[4,5-d]pyrimidine-2,4-dione | 1469868-58-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 8-[(3aR,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-aminopyrimido[4,5-d]pyrimidine-2,4-dione
• CAS: 1469868-58-3
• 化学式: C₂₀H₃₁N₅O₆Si
• 分子量: 465.582
• InChiKey: AYHDURFXKJSKPY-CNEMSGBDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.45
• 重原子数：
  32.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  143.58
• 氢给体数：
  2.0
• 氢受体数：
  10.0

反应信息

• 作为产物：
  描述：

  N-trimethylsilyl-2,4-bis(trimethylsilyloxy)pyrimido[4,5-d]pyrimidin-5-amine 、 1-O-acetyl-5-O-(tert-butyldimethylsilyl)-2,3-O-isopropylidene-β-D-ribofuranose 在 三氟甲磺酸三甲基硅酯 作用下， 以 1,2-二氯乙烷 、 乙腈 为溶剂， 反应 3.0h， 以25%的产率得到8-[(3aR,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-aminopyrimido[4,5-d]pyrimidine-2,4-dione
  参考文献：
  名称：

  Supramolecular organogelators based on Janus type AT nucleosides

  摘要：

  J-AT nucleoside-based organogelators 1a and 1b were designed and synthesized. They were endowed with unparalleled superiority to natural nucleobase analogues 2-6 to gelate aromatic solvents due to their excellent self-assembly properties. The J-AT nucleoside-based organogelators showed a specific self-complementary base pair recognition characteristic. The gel stabilities of 1a and 1b were drastically influenced by adenine analogue 2, hardly affected by thymine analogue 3, uracil analogue 4, cytosine analogue 5, and mildly interrupted by guanine analogue 6. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.08.058