888711-44-2 | Potassium (bromomethyl)trifluoroborate

Packsize	Purity	Availability	Price	Discounted Price
5g	95%	in stock	$10.00	$7.00
10g	95%	in stock	$18.00	$12.00
25g	95%	in stock	$35.00	$25.00

Description

• Catalog Number: AB52003
• Chemical Name: Potassium (bromomethyl)trifluoroborate
• CAS Number: 888711-44-2
• Molecular Formula: CH2BBrF3K
• Molecular Weight: 200.8351
• MDL Number: MFCD09265154
• SMILES: F[B-](CBr)(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 synthesis of potassium (bromomethyl)trifluoroborate typically involves the following steps:

1. **Generation of Diazomethane**: Begin by generating diazomethane through the reaction of N-methyl-N-nitroso-p-toluenesulfonamide (Diazald) with a strong base like potassium hydroxide.

2. **Bromination**: React diazomethane with bromine to produce bromomethyl diazonium tetrafluoroborate.

3. **Trifluoroborate Formation**: Treat the bromomethyl diazonium tetrafluoroborate with a boron-trifluoride source, such as boron trifluoride etherate, to perform a nucleophilic substitution that yields bromomethyl trifluoroborate.

4. **Potassium Salt Formation**: Finally, exchange the counterion by treating bromomethyl trifluoroborate with a potassium-containing salt such as potassium bicarbonate, yielding the desired product, potassium (bromomethyl)trifluoroborate.

The process must be conducted in an anhydrous environment, under an inert atmosphere, typically using dichloromethane or another suitable organic solvent as the reaction medium throughout the steps. It's essential to carefully control the temperature and stoichiometry to prevent side reactions and ensure high yield and purity of the final product.