9-(对-硝基苯基)腺嘌呤 | 21314-05-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 9-(对-硝基苯基)腺嘌呤
• 英文名称: 9-(4-nitrophenyl)adenine
• 英文别名: 9-(4-nitro-phenyl)-9H-purin-6-ylamine；[9-(4-nitrophenyl)-9H-purin-6-yl]amine；9-(p-Nitro-phenyl)-adenin；9-(4-nitro-phenyl)-9H-purin-6-ylamine；9-(4-nitrophenyl)purin-6-amine
• CAS: 21314-05-6
• 化学式: C₁₁H₈N₆O₂
• 分子量: 256.224
• InChiKey: CUQVCKJPCJQAMP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  115
• 氢给体数：
  1
• 氢受体数：
  6

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  9-(对-硝基苯基)腺嘌呤 在 5%-palladium/activated carbon 、 一水合肼 作用下， 以 乙醇 、 N,N-二甲基乙酰胺 为溶剂， 反应 8.0h， 生成 9-(4-aminophenyl)adenine
  参考文献：
  名称：

  含腺嘌呤结构的芳香族二胺及其制备方法和 含腺嘌呤结构的聚酰亚胺及其制备方法

  摘要：

  本发明公开了一种含腺嘌呤结构的芳香族二胺及其制备方法和含腺嘌呤结构的聚酰亚胺及其制备方法，本发明以无毒无害的腺嘌呤为原料，能衍生出大量可用于聚合物合成的生物基单体，使所得的聚合物符合可持续发展的资源节约性要求。本发明为聚酰亚胺的单体来源提供了基于生物质的新路径，缓解了聚酰亚胺材料对石油资源的依赖程度。

  公开号：

  CN106432240B
• 作为产物：
  描述：

  对氟硝基苯 、 腺嘌呤 在 potassium tert-butylate 作用下， 以 二甲基亚砜 为溶剂， 反应 3.0h， 以84%的产率得到9-(对-硝基苯基)腺嘌呤
  参考文献：
  名称：

  HETEROARYLPHENYLUREA DERIVATIVE

  摘要：

  公开号：

  EP1724258B1

文献信息

• Heteroarylphenylurea Derivative
  申请人：Oikawa Nobuhiro

  公开号：US20080119466A1

  公开（公告）日：2008-05-22

  The present invention provides a compound represented by the formula (1): wherein R 1 , R 2 and R 5 are each independently selected from a hydrogen atom, a halogen atom, a C 1 -C 6 alkyl is substituted with a halogen atom and the like; R 3 and R 4 are each independently selected from a hydrogen atom, a halogen atom, a substituted C 1 -C 6 alkyl group and the like; R 6 and R 7 are each independently selected from a hydrogen atom and a halogen atom; Z 1 and Z 2 are each independently selected from a hydrogen atom, a hydroxyl group and —O(CHR 11 )OC(═O)R 12 ; Q is a group of the formula: (wherein G 1 is C—Y 2 or N; a ring A is a benzene ring or a 5- to 6-membered unsaturated heterocycle) a pharmaceutically acceptable salt thereof or a prodrug thereof.

  本发明提供了一种由式（1）表示的化合物：其中，R1、R2和R5分别独立地选自氢原子、卤原子、C1-C6烷基被卤原子等取代基；R3和R4分别独立地选自氢原子、卤原子、取代的C1-C6烷基等基团；R6和R7分别独立地选自氢原子和卤原子；Z1和Z2分别独立地选自氢原子、羟基和—O（CHR11）OC（═O）R12；Q是下式的基团：（其中，G1是C—Y2或N；环A是苯环或5-至6-成员的不饱和杂环）；其药学上可接受的盐或前药。
• Heteroarylphenylurea derivative
  申请人：Oikawa Nobuhiro

  公开号：US08609656B2

  公开（公告）日：2013-12-17

  The present invention provides a compound represented by the formula (1): wherein R1, R2 and R5 are each independently selected from a hydrogen atom, a halogen atom, a C1-C6 alkyl is substituted with a halogen atom and the like; R3 and R4 are each independently selected from a hydrogen atom, a halogen atom, a substituted C1-C6 alkyl group and the like; R6 and R7 are each independently selected from a hydrogen atom and a halogen atom; Z1 and Z2 are each independently selected from a hydrogen atom, a hydroxyl group and —O(CHR11)OC(═O)R12; Q is a group of the formula: (wherein G1 is C—Y2 or N; a ring A is a benzene ring or a 5- to 6-membered unsaturated heterocycle) a pharmaceutically acceptable salt thereof or a prodrug thereof.

  本发明提供一种化合物，其表示为式（1）： 其中，R1、R2和R5各自独立地选择自氢原子、卤素原子、C1-C6烷基被卤素原子等取代基；R3和R4各自独立地选择自氢原子、卤素原子、取代的C1-C6烷基等；R6和R7各自独立地选择自氢原子和卤素原子；Z1和Z2各自独立地选择自氢原子、羟基和—O（CHR11）OC（═O）R12；Q是下式的基团：（其中，G1是C—Y2或N；环A是苯环或5-至6-成员不饱和杂环）；其药学上可接受的盐或其前药。
• Direct Arylation of Adenine by Fluoro- and Chloronitrobenzenes: Effect of Microwaves
  作者：Lubomír Váňa、Lukáš Vrzal、Hana Dvořáková、Michal Himl、Igor Linhart

  DOI：10.1080/00397911.2013.831902

  日期：2014.3.19

  Direct arylation of adenine with fluoro- and chloronitrobenzenes leads to mixtures of N9 and N7 substituted adenines. After separation by column chromatography, the individual isomers can be efficiently hydrogenated on Pd to give the corresponding aminophenyladenines. A significant enhancement of the reaction rate by microwave irradiation was observed. This two-step procedure was found to be a feasible route to otherwise hardly available 7-aminophenyladenines. Correlation between calculated shielding constants and experimental values of chemical shifts in C-13 and N-15 NMR was used for assignment of the site of substitution. [Supplementary materials are available for this article. Go to the publisher's online edition of Synthetic Communications (R) for the following free supplemental resource(s): Full experimental and spectral details.]
• US8609656B2
  申请人：——

  公开号：US8609656B2

  公开（公告）日：2013-12-17