888711-47-5 | Potassium trifluoro(iodomethyl)borate

Packsize	Purity	Availability	Price	Discounted Price
100mg	95%	in stock	$42.00	$29.00
1g	95%	in stock	$48.00	$34.00
5g	95%	in stock	$185.00	$130.00
25g	95%	in stock	$738.00	$517.00

Description

• Catalog Number: AH83901
• Chemical Name: Potassium trifluoro(iodomethyl)borate
• CAS Number: 888711-47-5
• Molecular Formula: CHBF3IK
• Molecular Weight: 246.8276196
• MDL Number: MFCD11112187
• SMILES: I[CH-][B+3]([F-])([F-])[F-].[K+]

Computed Properties

• Complexity: 44.7
• Covalently-Bonded Unit Count: 2
• Heavy Atom Count: 7
• Hydrogen Bond Acceptor Count: 4

Upstream Synthesis Route

The upstream synthesis of Potassium trifluoro(iodomethyl)borate commonly begins with the preparation of trifluoromethyl borate, which can be synthesized by reacting boron trifluoride (BF_3) with an appropriate methylating agent, such as dimethyl carbonate or methyl trifluoromethanesulfonate, to give a trifluoromethyl borate ester.

This intermediate is then subjected to a halogen exchange reaction under Finkelstein conditions, which involves the reaction of the trifluoromethyl borate ester with sodium or potassium iodide in an organic solvent, such as acetone, that facilitates the formation of the iodo-trifluoromethyl borate.

Finally, to prepare the target compound, potassium trifluoro(iodomethyl)borate, the iodo-trifluoromethyl borate compound is treated with potassium hydroxide or another suitable potassium source, forming the potassium salt, and concluding the synthetic route.

It should be noted that each step requires careful control of reaction conditions, including temperature, solvent, and stoichiometry, to optimize yield and purity of the product.