(E)-4-(2-(6-((4-methoxybenzyl)amino)-9-(tetrahydro-2H-pyran-2-yl)-9H-purin-8-yl)vinyl)benzonitrile | 1585984-86-6

• 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: (E)-4-(2-(6-((4-methoxybenzyl)amino)-9-(tetrahydro-2H-pyran-2-yl)-9H-purin-8-yl)vinyl)benzonitrile
• 英文别名: 4-[(E)-2-[6-[(4-methoxyphenyl)methylamino]-9-(oxan-2-yl)purin-8-yl]ethenyl]benzonitrile
• CAS: 1585984-86-6
• 化学式: C₂₇H₂₆N₆O₂
• 分子量: 466.542
• InChiKey: KQHSNSUCOSMYQW-SDNWHVSQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  35
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  97.9
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (E)-4-(2-(6-((4-methoxybenzyl)amino)-9-(tetrahydro-2H-pyran-2-yl)-9H-purin-8-yl)vinyl)benzonitrile 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以99%的产率得到(E)-4-(2-(6-((4-methoxybenzyl)amino)-9H-purin-8-yl)vinyl)benzonitrile
  参考文献：
  名称：

  Synthesis and evaluation of spectroscopic properties of newly synthesized push–pull 6-amino-8-styryl purines

  摘要：

  New 6-amino-8-styryl purines were synthesized using direct C H bond functionalization. These push pull compounds showed strong fluorescence, high quantum yields and a noteworthy fluorosolvatochromism. Deprotected purines 7a-c are promising targets for incorporation into nucleic acids as they are still fluorescent in aqueous media. (c) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2014.01.025
• 作为产物：
  描述：

  6-氯-9-(四氢-2-吡喃基)嘌呤 在 copper(l) iodide 、 palladium diacetate 、 lithium tert-butoxide 作用下， 以 1,4-二氧六环 为溶剂， 反应 0.5h， 生成 (E)-4-(2-(6-((4-methoxybenzyl)amino)-9-(tetrahydro-2H-pyran-2-yl)-9H-purin-8-yl)vinyl)benzonitrile
  参考文献：
  名称：

  Synthesis and evaluation of spectroscopic properties of newly synthesized push–pull 6-amino-8-styryl purines

  摘要：

  New 6-amino-8-styryl purines were synthesized using direct C H bond functionalization. These push pull compounds showed strong fluorescence, high quantum yields and a noteworthy fluorosolvatochromism. Deprotected purines 7a-c are promising targets for incorporation into nucleic acids as they are still fluorescent in aqueous media. (c) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2014.01.025