Et4N(1+)*HF2(1-) | 38600-46-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: Et4N(1+)*HF2(1-)
• CAS: 38600-46-3
• 化学式: C₈H₂₀N*F₂H
• 分子量: 169.258
• InChiKey: PFRYILSSLCMQOL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.46
• 重原子数：
  11.0
• 可旋转键数：
  4.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  、 Et4N(1+)*HF2(1-) 、 水 以 乙腈 为溶剂， 以64%的产率得到
  参考文献：
  名称：

  Stabilization of Molecular LiF and LiFHF inside Metallamacrocyclic Hosts

  摘要：

  Complexes of molecular LiF and LiFHF were synthesized using the metallamacrocyclic receptors [(cymene)Ru-(C5H3NO2)](3) (1), [(CpRh)-Rh-*(C5H3NO2)](3) (2), and [(CpIr)-Ir-*(C5H3NO2)](3) (3). LiBF4 complexes of 1-3 were prepared and subsequently treated with F- or FHF- to give the desired products in an anion-exchange reaction. All complexes were characterized by multinuclear NMR spectroscopy (H-1, C-13, F-19, Li-7). Strong scalar coupling between Li-7 and F-19 is observed for the LiF and the LiFHF complexes ((1)J(LiF) = 91-103 Hz). The LiFHF adduct of 1 displays fluxional behavior with fast exchange of the two fluorine atoms. The structures of the complexes 1.LiBF4, 2.LiBF4, 1.LiF, 2-LiF, 1-LiFHF, and 3-LiFHF were determined by single-crystal X-ray analysis. Li-F bond lengths between 1.77 and 1.81 Angstrom were found. The LiFHF complexes show a hydrogen difluoride anion coordinated in a bent fashion via one fluorine atom to the lithium ion.

  DOI：

  10.1021/ic025749k
• 作为试剂：
  描述：

  二甲胺 、 methyl 2,3-anhydro-β-D-lyxofuranoside 在 Et4N(1+)*HF2(1-) 、 甲基磺酰氯 、 三乙胺 作用下， 生成 methyl 2-dimethylamino-3,5-difluoro-2,3,5-trideoxy-β-D-xylofuranoside 、 methyl 2,3-dideoxy-2-dimethylamino-3-fluoro-5-O-methylsulfonyl-β-D-xylofuranoside
  参考文献：
  名称：

  Fluorination by anchimeric assistance of a diallylamino group: application to the synthesis of some methyl aminofluoropentofuranosides

  摘要：

  Methyl 2,3-trans-dialkylaminofluoro-alpha(or beta)-D-pentofuranosides were prepared by fluorination wherein the dialkylamino, group assists the replacement of a trans-vicinal mesylate. Whatever the location of the dialkylamino group (alpha or beta face of the ring), the regioselectivity of fluorination depends mainly on the alpha or beta orientation of the anomeric methoxyl group. The use of a diallylamino substituent led to methyl 3-amino-2,3-dideoxy-2-fluoro-beta-D-xylofuranoside, methyl 2-amino-2,3-dideoxy-3-fluoro-alpha-D-arabinofuranoside, methyl 2-amino-2,3-dideoxy-3-fluoro-beta-D-xylofuranoside, and methyl 3-amino-2,3-dideoxy-2-fluoro-alpha-D-arabinofuranoside. Attempts to obtain 2(or 3),5-difluoro analogues staring from corresponding dimesylates gave only disappointing results.

  DOI：

  10.1016/0008-6215(93)84057-d