Boron trifluoride tetrahydrofuran complex CAS#: 462-34-0; ChemWhat Code: 487522

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

Product NameBoron trifluoride tetrahydrofuran complex
IUPAC Nametrifluoro(oxolan-1-ium-1-yl)boranuide
Molecular StructureStructure of Boron Trifluoride Tetrahydrofuran Complex CAS 462-34-0
CAS Registry Number 462-34-0
EINECS Number207-325-9
MDL NumberMFCD00040372
Synonymsboron trifluoride-tetrahydrofuran complex, trifluoro-tetrahydrofuran-1-ium-1-yl-boron, boron trifluoride tetrahydrofuran complex, boron trifluoridetetrahydrofuran complex, borontrifluoride tetrahydrofuran complex, trifluoroborane-tetrahydrofuran complex, boron trifluoride tetrahydrofuran
Molecular FormulaBF3 · THF 
Molecular Weight139.91
InChIInChI=1S/C4H8BF3O/c6-5(7,8)9-3-1-2-4-9/h1-4H2
InChI KeyXYMZNNGTHKHCJH-UHFFFAOYSA-N
Canonical SMILES[B-]([O+]1CCCC1)(F)(F)F
Patent Information
Patent IDTitlePublication Date
US2003/236430 Preparation of protected amino acids 2003
EP1428827 Derivatives of 2,2′-Di (3,4-alkylenedioxythiophen) their preparation and use 2004
WO2006/34459 SUBSTITUTED ARYLPYRAZOLES 2006

Physical Data

AppearanceYellowish or light yellow transparent liquid
Water SolubilitySlightly soluble(1.87e-02 g/L)
Melting Point−123 °C(lit.)
Boiling Point180 °C(lit.)
SolubilityMiscible with dimethyl formamide.
Water solubilityhydrolysis
Density1.268 g/mL at 25 °C(lit.)
SensitivityMoisture Sensitive

Spectra

Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)Temperature (NMR Spectroscopy), °C Frequency (NMR Spectroscopy), MHz
Chemical shifts11Bchloroform-d1 128.33

Route of Synthesis (ROS)

Route-of-Synthesis-ROS-of-Boron-trifluoride-tetrahydrofuran-complex-CAS-462-34-0
Route-of-Synthesis-ROS-of-Boron-trifluoride-tetrahydrofuran-complex-CAS-462-34-0
ConditionsYield
With peracetic acid; ammonium 76Br-bromide; ammonia In methanol; water at 20℃; for 0.166667h;

Experimental Procedure
No-carrier-added NH476Br (3.7 MBq in 0.1percent aqueous NH4OH) was placed into a 2 mL Wheaton vial containing trifluoroborate (100 μL of 5.2.x.10-2 M solution in 50percent aqueous tetrahydrofuran). To this was added peracetic acid (100 μl, 0.3percent solution in methanol). The reaction vial was sealed, covered with aluminum foil, and the mixture stirred for 10 min at room temperature. The radiobrominated product was isolated by passing through a silica gel Sep-Pak cartridge using petroleum ether as eluent. The radiochemical purity of the 1-[76Br]bromo-2-phenylethyne was determined by radio-TLC (aluminum backed silica gel plate, hexane) Rf=0.73. The radiochemical (decay corrected) was found to be 80percent and the radiochemical purity was >98percent. The total synthesis time was 20 min. Alkenyltrifluoroborates were radiobrominated using the same procedure.		80%

Safety and Hazards

GHS Hazard StatementsNot Classified

Other Data

TransportationNot dangerous goods
Under the room temperature and away from light
HS Code294200
StorageUnder the room temperature and away from light
Shelf LifeNo data vailable
Market PriceNo data vailable
Use Pattern
Boron trifluoride tetrahydrofuran complex CAS#: 462-34-0 as a acid additive as Lewis acid

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