2,6-diamino-8-trifluoromethylpurine | 778-98-3

• 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: 2,6-diamino-8-trifluoromethylpurine
• 英文别名: 8-(trifluoromethyl)-7H-purine-2,6-diamine
• CAS: 778-98-3
• 化学式: C₆H₅F₃N₆
• 分子量: 218.141
• InChiKey: KISMDTJPSZZQQX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  107
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  三氟碘甲烷 、 2,6-二氨基嘌呤 在 iron(III) sulfate 、 双氧水 作用下， 以 水 、 二甲基亚砜 为溶剂， 反应 0.33h， 以23%的产率得到2,6-diamino-8-trifluoromethylpurine
  参考文献：
  名称：

  Method for producing nucleic acid base having perfluoroalkyl group

  摘要：

  公开号：

  EP1947092B1

文献信息

• Nucleobase Having Perfluoroalkyl Group and Process for Producing the Same
  申请人：Yamakawa Tetsu

  公开号：US20090124796A1

  公开（公告）日：2009-05-14

  Provided is a simple and efficient production process of a nucleobase having a perfluoroalkyl group. A nucleobase (for example, uracils, cytosines, adenines, guanines, hypoxanthines, xanthines, or the like) is reacted with a perfluoroalkyl halide in the presence of a sulfoxide, a peroxide and an iron compound to produce a perfluoroalkyl-substituted nucleobase, which is useful as an intermediate for medical drugs, economically.

  提供一种具有全氟烷基的核碱的简单高效的生产工艺。将核碱（例如尿嘧啶、胞嘧啶、腺嘌呤、鸟嘌呤、次黄嘌呤、黄嘌呤等）与全氟烷基卤化物在亚砜、过氧化物和铁化合物的存在下反应，制得全氟烷基取代的核碱，该中间体在医药制剂中具有经济价值。
• Reaction reagent for trifluoromethylation
  申请人：Sagami Chemical Research Center

  公开号：US07981318B2

  公开（公告）日：2011-07-19

  Provided is a reaction reagent for trifluoromethylation with high general versatility and good efficiency. The reaction reagent for trifluoromethylation contains an iron compound, trifluoromethyl iodide, a sulfoxide and a peroxide, and may further contain an acid. The iron compound is, for example, iron(II) sulfate, ammonium iron(II) sulfate, iron(II) tetrafluoroborate, ferrocene, bis(η5-pentamethylcyclopentadienyl)iron or an iron powder; the sulfoxide is, for example, dimethyl sulfoxide; the peroxide is, for example, hydrogen peroxide or hydrogen peroxide-urea composite; and the acid is, for example, sulfuric acid, tetrafluoroboric acid or trifluoromethanesulfonic acid.

  提供的是一种三氟甲基化反应试剂，具有高度的普适性和良好的效率。该三氟甲基化反应试剂包含铁化合物、三氟甲基碘、亚砜和过氧化物，还可以进一步包含酸。其中，铁化合物可以是铁(II)硫酸盐、铵铁(II)硫酸盐、铁(II)四氟硼酸盐、二茂铁、双(η5-五甲基环戊二烯基)铁或铁粉；亚砜可以是二甲基亚砜；过氧化物可以是双氧水或双氧水-尿素复合物；酸可以是硫酸、四氟硼酸或三氟甲烷磺酸。
• Nucleobase having perfluoroalkyl group and process for producing the same
  申请人：Tosoh Corporation

  公开号：US07884202B2

  公开（公告）日：2011-02-08

  Nucleobases are perfluoroalkylated in a one step process with a perfluoroalkyl halide in the presence of a sulfoxide, a peroxide and an iron compound. Compounds so produced are useful as medicinal drugs, intermediates for medicinal drugs and agricultural chemicals.

  核碱基可以在有亚砜、过氧化物和铁化合物的存在下，通过一步法与全氟烷基卤化物进行全氟烷基化。这样产生的化合物可用作药物、药物中间体和农药。
• Reaction Reagent for Trifluoromethylation
  申请人：Yamakawa Tetsu

  公开号：US20100230633A1

  公开（公告）日：2010-09-16

  Provided is a reaction reagent for trifluoromethylation with high general versatility and good efficiency. The reaction reagent for trifluoromethylation contains an iron compound, trifluoromethyl iodide, a sulfoxide and a peroxide, and may further contain an acid. The iron compound is, for example, iron(II) sulfate, ammonium iron(II) sulfate, iron(II) tetrafluoroborate, ferrocene, bis(η 5 -pentamethylcyclopentadienyl)iron or an iron powder; the sulfoxide is, for example, dimethyl sulfoxide; the peroxide is, for example, hydrogen peroxide or hydrogen peroxide-urea composite; and the acid is, for example, sulfuric acid, tetrafluoroboric acid or trifluoromethanesulfonic acid.

  提供了一种反应试剂，用于三氟甲基化反应，具有高度的通用性和良好的效率。该三氟甲基化反应试剂包含铁化合物、三氟甲基碘、亚砜和过氧化物，并且可能还包含酸。其中，铁化合物可以是铁(II)硫酸盐、铵铁(II)硫酸盐、铁(II)四氟硼酸盐、二茂铁、双(η5-五甲基环戊二烯基)铁或铁粉；亚砜可以是二甲基亚砜；过氧化物可以是双氧水或双氧水-脲复合物；酸可以是硫酸、四氟硼酸或三氟甲烷磺酸。
• NUCLEIC ACID BASE HAVING PERFLUOROALKYL GROUP AND METHOD FOR PRODUCING THE SAME
  申请人：Tosoh Corporation

  公开号：EP1947092A1

  公开（公告）日：2008-07-23

  Provided is a simple and efficient production process of a nucleobase having a perfluoroalkyl group. A nucleobase (for example, uracils, cytosines, adenines, guanines, hypoxanthines, xanthines, or the like) is reacted with a perfluoroalkyl halide in the presence of a sulfoxide, a peroxide and an iron compound to produce a perfluoroalkyl-substituted nucleobase, which is useful as an intermediate for medical drugs, economically.

  本发明提供了一种具有全氟烷基的核碱基的简单而高效的生产工艺。 核碱基（例如尿嘧啶、胞嘧啶、腺嘌呤、鸟嘌呤、次黄嘌呤、黄嘌呤或类似物）在亚砜、过氧化物和铁化合物的存在下与全氟烷基卤化物反应，生成全氟烷基取代的核碱基，该核碱基可经济地用作医疗药物的中间体。