1510778-85-4 | Potassium 2,2,2-trifluoroethane-2-trifluoroborate

Packsize	Purity	Availability	Price	Discounted Price
250mg	97%	in stock	$40.00	$28.00
1g	97%	in stock	$143.00	$101.00
5g	97%	in stock	$712.00	$499.00

Description

• Catalog Number: AI36812
• Chemical Name: Potassium 2,2,2-trifluoroethane-2-trifluoroborate
• CAS Number: 1510778-85-4
• Molecular Formula: C2H2BF6K
• Molecular Weight: 189.9369992
• MDL Number: MFCD27981361
• SMILES: F[B-](CC(F)(F)F)(F)F.[K+]

Computed Properties

• Complexity: 92.9
• Covalently-Bonded Unit Count: 2
• Heavy Atom Count: 10
• Hydrogen Bond Acceptor Count: 7

Upstream Synthesis Route

The synthesis of Potassium 2,2,2-trifluoroethane-2-trifluoroborate [K(CF3)3CO2] typically involves the following steps:

1. **Starting Material**: Synthesize the precursor 2,2,2-trifluoroethanol (CF3CH2OH) from readily available commercial chemicals.

2. **Boron Compound Formation**: Convert 2,2,2-trifluoroethanol into trifluoroethyl trifluoroborate (CF3CH2BF3) via a boronation reaction using an appropriate boron reagent such as boron trifluoride (BF3) in a suitable solvent.

3. **Salt Formation**: Neutralize the resulting trifluoroethyl trifluoroborate with potassium carbonate (K2CO3) or potassium hydroxide (KOH) to obtain the desired Potassium 2,2,2-trifluoroethane-2-trifluoroborate as a solid after precipitation.

4. **Purification**: Purify the product by recrystallization from a solvent in which the product is soluble but impurities are not, such as acetonitrile or another appropriate solvent.

5. **Characterization**: Characterize the final product using techniques like NMR, IR, and MS to confirm the structure and purity of the synthesized potassium trifluoroborate compound.