(E)-4-(2-(7-benzyl-4-(benzyl(methyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl)vinyl)benzonitrile | 1585984-82-2

• 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-(7-benzyl-4-(benzyl(methyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl)vinyl)benzonitrile
• 英文别名: 4-[(E)-2-[9-benzyl-6-[benzyl(methyl)amino]purin-8-yl]ethenyl]benzonitrile
• CAS: 1585984-82-2
• 化学式: C₂₉H₂₄N₆
• 分子量: 456.55
• InChiKey: MPHVXUGGXWEUIH-WUKNDPDISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  35
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  70.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  (E)-1-(4'-cyanophenyl)-2-bromoethylene 在 tris-(dibenzylideneacetone)dipalladium(0) 、 copper(l) iodide 、 palladium diacetate 、 caesium carbonate 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 、 lithium tert-butoxide 作用下， 以 1,4-二氧六环 为溶剂， 反应 4.5h， 生成 (E)-4-(2-(7-benzyl-4-(benzyl(methyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-6-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

文献信息

• Synthesis and evaluation of spectroscopic properties of newly synthesized push–pull 6-amino-8-styryl purines
  作者：Roxane Vabre、Michel Legraverend、Sandrine Piguel

  DOI：10.1016/j.dyepig.2014.01.025

  日期：2014.6

  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.