1-[(2-[(tert-butyldimethylsilyl)oxy]ethoxy)methyl]-6-[1-hydroxy-1-(2-methoxy-1-naphthyl)methyl]thymine | 1025820-96-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1-[(2-[(tert-butyldimethylsilyl)oxy]ethoxy)methyl]-6-[1-hydroxy-1-(2-methoxy-1-naphthyl)methyl]thymine
• 英文别名: 1-[2-[Tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-[hydroxy-(2-methoxynaphthalen-1-yl)methyl]-5-methylpyrimidine-2,4-dione
• CAS: 1025820-96-5
• 化学式: C₂₆H₃₆N₂O₆Si
• 分子量: 500.667
• InChiKey: KTIJBTNAYAMYOZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.08
• 重原子数：
  35
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  97.3
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-[(2-[(tert-butyldimethylsilyl)oxy]ethoxy)methyl]-6-[1-hydroxy-1-(2-methoxy-1-naphthyl)methyl]thymine 在 palladium on activated charcoal 吡啶 、 氢气 、 溶剂黄146 作用下， 以 1,4-二氧六环 、 水 为溶剂， 20.0~60.0 ℃ 、101.33 kPa 条件下， 反应 27.0h， 生成 1-[(2-hydroxyethoxy)methyl]-6-[2-methoxy-5,6,7,8-tetrahydro-(1-naphthyl)methyl]thymine
  参考文献：
  名称：

  Synthesis of 1‐[(2‐Hydroxyethoxy)Methyl]‐6‐(5,6,7,8‐Tetrahydronaphthylmethyl‐1)Thymine as Novel Inhibitor against Drug‐Resistant HIV Mutants

  摘要：

  Synthesis of two new 1-[(2-hydroxycthoxy)methyl]-6-(5,6,7,8-tetrahydronaphthylmethyl-1)thymine derivatives 10a-b, as potent inhibitors against a mutant type of HIV, starting from thymine, is described. In the preparation of the corresponding 10a-b from compounds 9a-b, the three-step reaction via deprotection, hydrogenolysis, and hydrogenation was carried out in a one-pot procedure.

  DOI：

  10.1081/scc-200054213
• 作为产物：
  描述：

  1-(2-羟基乙氧基)甲基-5-甲基尿嘧啶 在 咪唑 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 17.0h， 生成 1-[(2-[(tert-butyldimethylsilyl)oxy]ethoxy)methyl]-6-[1-hydroxy-1-(2-methoxy-1-naphthyl)methyl]thymine
  参考文献：
  名称：

  Synthesis of 1‐[(2‐Hydroxyethoxy)Methyl]‐6‐(5,6,7,8‐Tetrahydronaphthylmethyl‐1)Thymine as Novel Inhibitor against Drug‐Resistant HIV Mutants

  摘要：

  Synthesis of two new 1-[(2-hydroxycthoxy)methyl]-6-(5,6,7,8-tetrahydronaphthylmethyl-1)thymine derivatives 10a-b, as potent inhibitors against a mutant type of HIV, starting from thymine, is described. In the preparation of the corresponding 10a-b from compounds 9a-b, the three-step reaction via deprotection, hydrogenolysis, and hydrogenation was carried out in a one-pot procedure.

  DOI：

  10.1081/scc-200054213

文献信息

• Synthesis of 1‐[(2‐Hydroxyethoxy)Methyl]‐6‐(5,6,7,8‐Tetrahydronaphthylmethyl‐1)Thymine as Novel Inhibitor against Drug‐Resistant HIV Mutants
  作者：Ge Meng、Yun‐Yan Kuang、Lei Ji、Fen‐Er Chen

  DOI：10.1081/scc-200054213

  日期：2005.4.1

  Synthesis of two new 1-[(2-hydroxycthoxy)methyl]-6-(5,6,7,8-tetrahydronaphthylmethyl-1)thymine derivatives 10a-b, as potent inhibitors against a mutant type of HIV, starting from thymine, is described. In the preparation of the corresponding 10a-b from compounds 9a-b, the three-step reaction via deprotection, hydrogenolysis, and hydrogenation was carried out in a one-pot procedure.