N-Boc-5-fluoroindazole | 1167418-10-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 英文名称: N-Boc-5-fluoroindazole
• 英文别名: tert-Butyl 5-fluoro-1H-indazole-1-carboxylate；tert-butyl 5-fluoroindazole-1-carboxylate
• CAS: 1167418-10-1
• 化学式: C₁₂H₁₃FN₂O₂
• 分子量: 236.246
• InChiKey: IEGABWOPJJSVIH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  44.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-(tert-butoxycarbonyl)-1H-indazol-5-ylboronic acid 在 sodium hydroxide 、 silver trifluoromethanesulfonate 、 Selectfluor 作用下， 以 甲醇 、 丙酮 为溶剂， 反应 1.75h， 以75%的产率得到N-Boc-5-fluoroindazole
  参考文献：
  名称：

  Fluorination of Boronic Acids Mediated by Silver(I) Triflate

  摘要：

  A regiospecific Ag-mediated fluorination reaction of aryl- and alkenylboronic acids and esters is reported. The fluorination reaction uses commercially available reagents, does not require the addition of exogenous ligands, and can be performed on a multigram scale. This report discloses the first practical reaction sequence from arylboronic acid to aryl fluorides.

  DOI：

  10.1021/ol901113t

文献信息

• FLUORINATION OF ORGANIC COMPOUNDS
  申请人：Ritter Tobias

  公开号：US20110312903A1

  公开（公告）日：2011-12-22

  Methods for fluorinating organic compounds are described herein.

  本文描述了有机化合物氟化的方法。
• US9024093B2
  申请人：——

  公开号：US9024093B2

  公开（公告）日：2015-05-05
• [EN] FLUORINATION OF ORGANIC COMPOUNDS<br/>[FR] FLUORATION DE COMPOSÉS ORGANIQUES
  申请人：HARVARD COLLEGE

  公开号：WO2010059943A2

  公开（公告）日：2010-05-27

  Methods for fluorinating organic compounds are described herein.
• Fluorination of Boronic Acids Mediated by Silver(I) Triflate
  作者：Takeru Furuya、Tobias Ritter

  DOI：10.1021/ol901113t

  日期：2009.7.2

  A regiospecific Ag-mediated fluorination reaction of aryl- and alkenylboronic acids and esters is reported. The fluorination reaction uses commercially available reagents, does not require the addition of exogenous ligands, and can be performed on a multigram scale. This report discloses the first practical reaction sequence from arylboronic acid to aryl fluorides.