4-cyclopropyl-1-(4-fluorobenzyl)-5-deutero-1H-1,2,3-triazole

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-cyclopropyl-1-(4-fluorobenzyl)-5-deutero-1H-1,2,3-triazole
• 英文别名: 4-Cyclopropyl-5-deuterio-1-[(4-fluorophenyl)methyl]triazole；4-cyclopropyl-5-deuterio-1-[(4-fluorophenyl)methyl]triazole
• 化学式: C₁₂H₁₂FN₃
• 分子量: 218.238
• InChiKey: ALGBVGBKZVBVFO-BNEYPBHNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-cyclopropyl-1-(4-fluorobenzyl)-5-iodo-1H-1,2,3-triazole 在 硼氘化钠 、 palladium 10% on activated carbon 、 重水 作用下， 以 四氢呋喃 为溶剂， 以80%的产率得到4-cyclopropyl-1-(4-fluorobenzyl)-5-deutero-1H-1,2,3-triazole
  参考文献：
  名称：

  Multifunctional Deuterated and Tritiated ‘Click’ Molecular Probes via ­Palladium-Mediated Reductive Deiodination of 5-Iodo-1,2,3-Triazoles

  摘要：

  Tritiated compounds are invaluable tools for in vitro and in vivo studies on bioactive molecules. Here we describe a click-chemistry'-based strategy for deuteration and tritiation of multifunctional compounds and multimodal molecular imaging probes. The method relies on a palladium-mediated reductive deiodination of 5-iodo-1,2,3-triazoles in the presence of NaBD4, deuterium or tritium gas.

  DOI：

  10.1055/s-0033-1340940

文献信息

• Multifunctional Deuterated and Tritiated ‘Click’ Molecular Probes via ­Palladium-Mediated Reductive Deiodination of 5-Iodo-1,2,3-Triazoles
  作者：Andrea Testa、Matteo Zanda、Monica Piras、Mike Hickey、Ian Fleming、Nicholas Bushby、Eva Lenz、Charles Elmore

  DOI：10.1055/s-0033-1340940

  日期：——

  Tritiated compounds are invaluable tools for in vitro and in vivo studies on bioactive molecules. Here we describe a click-chemistry'-based strategy for deuteration and tritiation of multifunctional compounds and multimodal molecular imaging probes. The method relies on a palladium-mediated reductive deiodination of 5-iodo-1,2,3-triazoles in the presence of NaBD4, deuterium or tritium gas.