ethyl 4-[9-(methoxymethyl)-8-(4-methoxyphenyl)-9H-purin-6-yl]benzoate | 1516609-14-5

• 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: ethyl 4-[9-(methoxymethyl)-8-(4-methoxyphenyl)-9H-purin-6-yl]benzoate
• 英文别名: Ethyl 4-[9-(methoxymethyl)-8-(4-methoxyphenyl)purin-6-yl]benzoate；ethyl 4-[9-(methoxymethyl)-8-(4-methoxyphenyl)purin-6-yl]benzoate
• CAS: 1516609-14-5
• 化学式: C₂₃H₂₂N₄O₄
• 分子量: 418.452
• InChiKey: XFQMKABTBQFKNK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  88.4
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  9-(methoxymethyl)-9H-purine 在 三(2-呋喃基)膦 、 C₉H₁₉ClNZn*LiCl 、 C₉H₁₉ClMgN*LiCl 、 zinc(II) chloride 、 bis(dibenzylideneacetone)-palladium⁽⁰⁾ 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 生成 ethyl 4-[9-(methoxymethyl)-8-(4-methoxyphenyl)-9H-purin-6-yl]benzoate
  参考文献：
  名称：

  Regioselective Functionalization of Purine Derivatives at Positions 8 and 6 Using Hindered TMP-Amide Bases of Zn and Mg

  摘要：

  A broad range of purine derivatives were efficiently metalated at positions 8 and 6 using TMP-amide bases. This provided polysubstituted purines in good to very good yields after subsequent trapping of the zinc or magnesium intermediates with various electrophiles.

  DOI：

  10.1055/s-0033-1338524

文献信息

• Regioselective Functionalization of Purine Derivatives at Positions 8 and 6 Using Hindered TMP-Amide Bases of Zn and Mg
  作者：Paul Knochel、François Crestey、Silvia Zimdars

  DOI：10.1055/s-0033-1338524

  日期：——

  A broad range of purine derivatives were efficiently metalated at positions 8 and 6 using TMP-amide bases. This provided polysubstituted purines in good to very good yields after subsequent trapping of the zinc or magnesium intermediates with various electrophiles.