2-amino-9-benzyl-6-(2-fluorophenylethynyl)-9H-purine

• 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: 2-amino-9-benzyl-6-(2-fluorophenylethynyl)-9H-purine
• 英文别名: 2-amino-9-bezyl-6-(2-fluorophenylethynyl)-9H-purine；9-Benzyl-6-[2-(2-fluorophenyl)ethynyl]purin-2-amine
• 化学式: C₂₀H₁₄FN₅
• 分子量: 343.363
• InChiKey: SLXKAVVMFXDHLQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  69.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-(2-amino-9-benzyl-9H-purin-6-yl)-2-methylbutan-3-yn-2-ol 、 2-氟碘苯 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide sodium hydroxide 、 四丁基溴化铵 作用下， 以 甲苯 为溶剂， 以17%的产率得到2-amino-9-benzyl-6-(2-fluorophenylethynyl)-9H-purine
  参考文献：
  名称：

  Synthesis of 6-ethynylpurine derivatives

  摘要：

  A series of 6-(arylethynyl)purine derivatives are synthesized from the corresponding 6-halopurines via sequential and 'one-pot' Sonogashira-coupling reactions. The nature of the acetylene source was found to have a profound influence on the efficiency of the process. In sequential couplings, 2-methyl-but-3-yn-2-ol was found to be an efficient acetylene surrogate, while in the 'one-pot' reaction, 1-ethynylcyclohexanol gave superior results. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.04.011

文献信息

• [EN] ALKYNYLPURINE COMPOUNDS AND PRODUCTION METHODS THEREOF<br/>[FR] COMPOSES D'ALKYNYLPURINE ET PROCEDES DE PRODUCTION CORRESPONDANTS
  申请人：SUMIKA FINE CHEMICALS CO LTD

  公开号：WO2003106458A1

  公开（公告）日：2003-12-24

  The present invention relates to alkynylpurine compounds represented by the following formula (I-1) and the formula (I-2): wherein each symbol is as defined in the present specification, salts thereof, and production methods thereof. According to the present invention, a method of producing an alkynylpurine compound and a salt thereof useful as an intermediate for medicament production safely, conveniently and economically from the corresponding purine compound and a salt thereof, as well as an alkynylpurine compound and a salt thereof useful as an intermediate for production of medicaments can be provided.

  本发明涉及由以下式（I-1）和式（I-2）表示的炔基嘌呤化合物，其中每个符号如本规范中所定义，以及其盐和生产方法。根据本发明，可以提供一种从相应的嘌呤化合物及其盐中安全、方便、经济地生产用作药物生产中间体的炔基嘌呤化合物及其盐的方法，以及用作药物生产中间体的炔基嘌呤化合物及其盐。
• Alkynylpurine compounds and production methods thereof
  申请人：Hayashi Taketo

  公开号：US20060100429A1

  公开（公告）日：2006-05-11

  The present invention relates to alkynylpurine compounds represented by the following formula (I-1) and the formula (I-2): wherein each symbol is as defined in the present specification, salts thereof, and production methods thereof. According to the present invention, a method of producing an alkynylpurine compound and a salt thereof useful as an intermediate for medicament production safely, conveniently and economically from the corresponding purine compound and a salt thereof, as well as an alkynylpurine compound and a salt thereof useful as an intermediate for production of medicaments can be provided.

  本发明涉及以下公式（I-1）和公式（I-2）所表示的炔基嘌呤化合物，其中每个符号如本说明书所定义的，以及其盐和制备方法。根据本发明，可以提供一种从相应的嘌呤化合物及其盐中安全、方便、经济地制备用作药物生产中间体的炔基嘌呤化合物及其盐的方法，以及用作药物生产中间体的炔基嘌呤化合物及其盐。
• ALKYNYLPURINE COMPOUNDS AND PRODUCTION METHODS THEREOF
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP1515970B1

  公开（公告）日：2006-10-18
• Synthesis of 6-ethynylpurine derivatives
  作者：András Nagy、András Kotschy

  DOI：10.1016/j.tetlet.2008.04.011

  日期：2008.6

  A series of 6-(arylethynyl)purine derivatives are synthesized from the corresponding 6-halopurines via sequential and 'one-pot' Sonogashira-coupling reactions. The nature of the acetylene source was found to have a profound influence on the efficiency of the process. In sequential couplings, 2-methyl-but-3-yn-2-ol was found to be an efficient acetylene surrogate, while in the 'one-pot' reaction, 1-ethynylcyclohexanol gave superior results. (C) 2008 Elsevier Ltd. All rights reserved.