2-chloro-6-(4-methoxyphenyl)-9H-purine | 918536-97-7

• 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: 2-chloro-6-(4-methoxyphenyl)-9H-purine
• 英文别名: 2-chloro-6-(4-methoxyphenyl)-7H-purine
• CAS: 918536-97-7
• 化学式: C₁₂H₉ClN₄O
• 分子量: 260.683
• InChiKey: GNHACDOTQKVWAU-UHFFFAOYSA-N

物化性质

• 熔点：
  287-291 °C(Solv: water (7732-18-5); ethanol (64-17-5))
• 密度：
  1.426±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  63.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-甲氧基苯硼酸 、 2,6-二氯嘌呤 在 palladium diacetate caesium carbonate 作用下， 以 水 、 乙腈 为溶剂， 反应 0.08h， 以57%的产率得到2-chloro-6-(4-methoxyphenyl)-9H-purine
  参考文献：
  名称：

  Aqueous-Phase Suzuki-Miyaura Cross-Coupling Reactions of Free Halopurine Bases

  摘要：

  通过水-乙腈混合物中微波辐照下，9-未取代的2-、6-和8-卤代嘌呤碱与多种芳基和烯基硼酸的Suzuki-Miyaura反应，实现了单步合成芳基嘌呤。在大多数情况下，产物以高产率直接从反应混合物中结晶，纯度良好。研究了这些反应的范围和局限性。

  DOI：

  10.1055/s-2006-950240

文献信息

• [EN] PURINE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS FOR PREVENTION OR TREATMENT OF BACTERIAL INFECTIONS<br/>[FR] DÉRIVÉS DE PURINE ET LEUR UTILISATION COMME PRODUITS PHARMACEUTIQUES POUR PRÉVENIR OU TRAITER LES INFECTIONS BACTÉRIENNES
  申请人：BIODIM LAB

  公开号：WO2012172043A1

  公开（公告）日：2012-12-20

  The invention relates to the compounds of general formula (I) and their addition salts thereof with acids and bases: wherein A is phenyl, naphthyl and 5-10 membered monocyclic or bicyclic unsaturated heterocycle, optionally substituted by a group R1 which is as defined in the application and is itself optionally substitutes by a group R2 which is as defined in the application and is itself optionally substituted by a group R3 which is defined in the application, Y and W, identical or different, are H, (C1-C6) alkyl, (C2-C6) alkenyl, (C2-C6) alkynyl, phenyl or 4-10 monocyclic or bicyclic saturated or unsaturated heterocycle, optionally substituted by R1, or Y and/or W form a 4-10 membered cycle with R1, or Y and W form with N a saturated or unsaturated nitrogenous 4-10 membered mono, bi or tricyclic system, fused, bridged or spiro system, said system being optionally substituted by R1, said system being different from morpholine, with the proviso that when Y and A are phenyl or heterocycle, W is not H, a process and intermediates for their preparation and their use in the antibacterial prevention and therapy, used alone or in association with antibacterials, antivirulence agents or drugs reinforcing the host innate immunity, and pharmaceutical compositions and associations containing them.