1356481-57-6 | Potassium (cyclopropylmethyl)trifluoroborate

Packsize	Purity	Availability	Price	Discounted Price
250mg	98%	in stock	$76.00	$53.00
1g	98%	in stock	$159.00	$111.00
5g	98%	in stock	$649.00	$455.00

Description

• Catalog Number: AB53462
• Chemical Name: Potassium (cyclopropylmethyl)trifluoroborate
• CAS Number: 1356481-57-6
• Molecular Formula: C4H7BF3K
• Molecular Weight: 162.0029
• MDL Number: MFCD11052655
• SMILES: F[B-](CC1CC1)(F)F.[K+]

Computed Properties

• Complexity: 88.3
• Covalently-Bonded Unit Count: 2
• Heavy Atom Count: 9
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1

Upstream Synthesis Route

The upstream synthesis route of Potassium (cyclopropylmethyl)trifluoroborate typically involves the following steps:

1. Generation of Cyclopropylmethyl Grignard Reagent:
Cyclopropylmethyl bromide is reacted with magnesium turnings in an anhydrous ether solvent to form the cyclopropylmethyl Grignard reagent.

2. Reaction with Trifluoroborates:
The resulting cyclopropylmethyl Grignard reagent is then reacted with a suitable trifluoroborating agent, such as trialkyl borate, in the presence of a fluoride source. This reaction typically requires careful control of temperature and stoichiometry to avoid side reactions.

3. Quenching and Workup:
The reaction is quenched with acid, typically a weak organic acid like acetic acid, to protonate any remaining Grignard reagent and to facilitate the workup.

4. Final Isolation:
The product, Potassium (cyclopropylmethyl)trifluoroborate, is then isolated typically via filtration or extraction, followed by drying and purification.

Throughout the process, standard techniques to exclude moisture and oxygen, such as working under inert gas atmosphere, are employed due to the sensitivity of Grignard reagents. The purity of the final product is confirmed by analytical techniques such as NMR, GC-MS, or HPLC.