9-benzyl-6-benzylamino-8-bromo-2-tert-butoxycarbonylaminopurine | 1609090-83-6

• 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: 9-benzyl-6-benzylamino-8-bromo-2-tert-butoxycarbonylaminopurine
• 英文别名: tert-butyl N-[9-benzyl-6-(benzylamino)-8-bromopurin-2-yl]carbamate
• CAS: 1609090-83-6
• 化学式: C₂₄H₂₅BrN₆O₂
• 分子量: 509.406
• InChiKey: SGDFBMGITWZQAG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  33
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  94
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  tert-butyl (9-benzyl-6-chloro-9H-purin-2-yl)carbamate 在 pyridinium hydrobromide perbromide 作用下， 以 二氯甲烷 为溶剂， 反应 3.25h， 生成 9-benzyl-6-benzylamino-8-bromo-2-tert-butoxycarbonylaminopurine
  参考文献：
  名称：

  8-Bromination of 2,6,9-trisubstituted purines with pyridinium tribromide

  摘要：

  2,6,9-Trisubstituted purines are brominated in high yields using pyridinium tribromide as the brominating reagent. This procedure works excellently for electron-rich purines having electron-donating substituents at the 2- and 6-positions. The use of pyridinium tribromide, a crystalline alternative to elemental bromine, improves the bromination procedure for this type of substrate as the reagent is easy to handle and the work-up and purification procedures are simplified. (C) 2014 The Authors. Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2014.03.084

文献信息

• 8-Bromination of 2,6,9-trisubstituted purines with pyridinium tribromide
  作者：David Bliman、Mariell Pettersson、Mattias Bood、Morten Grøtli

  DOI：10.1016/j.tetlet.2014.03.084

  日期：2014.4

  2,6,9-Trisubstituted purines are brominated in high yields using pyridinium tribromide as the brominating reagent. This procedure works excellently for electron-rich purines having electron-donating substituents at the 2- and 6-positions. The use of pyridinium tribromide, a crystalline alternative to elemental bromine, improves the bromination procedure for this type of substrate as the reagent is easy to handle and the work-up and purification procedures are simplified. (C) 2014 The Authors. Published by Elsevier Ltd.