446065-11-8 | Potassium cyclohexyltrifluoroborate

Packsize	Purity	Availability	Price	Discounted Price
1g	96%	in stock	$26.00	$18.00
5g	96%	in stock	$70.00	$49.00
10g	96%	in stock	$129.00	$90.00
25g	96%	in stock	$307.00	$215.00

Description

• Catalog Number: AG17835
• Chemical Name: Potassium cyclohexyltrifluoroborate
• CAS Number: 446065-11-8
• Molecular Formula: C6H11BF3K
• Molecular Weight: 190.0560
• MDL Number: MFCD09992929
• SMILES: F[B-](C1CCCCC1)(F)F.[K+]

Computed Properties

• Complexity: 109
• Covalently-Bonded Unit Count: 2
• Heavy Atom Count: 11
• Hydrogen Bond Acceptor Count: 4

Upstream Synthesis Route

The synthesis of Potassium cyclohexyltrifluoroborate ([K][C₆H₁₁BF₃]) typically involves the following steps:

1. **Cyclohexyl Grignard Reagent Formation**: Begin with the halogenated cyclohexane, such as bromocyclohexane. React this compound with magnesium metal in anhydrous diethyl ether to produce the cyclohexyl magnesium bromide Grignard reagent.

2. **Boron Trifluoride Complex Formation**: Introduce boron trifluoride etherate (BF₃·OEt₂) to the reaction mixture containing the cyclohexyl Grignard reagent. This step leads to the formation of cyclohexyltrifluoroborate with the release of magnesium bromide etherate as the side product.

3. **Salt Metathesis and Purification**: The crude cyclohexyltrifluoroborate product is then treated with potassium bromide (KBr) or an equivalent potassium salt to cause a metathesis reaction, thereby exchanging the anions to form potassium cyclohexyltrifluoroborate and magnesium bromide.

4. **Filtration and Crystallization**: The reaction mixture is filtered to remove magnesium halide salts, and the filtrate is concentrated under reduced pressure. The product can then be purified by recrystallization from suitable solvents (such as alcohol/water mixtures) to give pure Potassium cyclohexyltrifluoroborate.

The reaction conditions, such as temperature and solvent choices, are optimized to balance yield, purity, and operational safety. The entire process is conducted under an inert atmosphere (N₂ or Ar) to prevent moisture or oxygen from interfering with the Grignard reagent.