1015484-22-6 | Potassium 1-methyl-4-trifluoroboratomethylpiperazine

Packsize	Purity	Availability	Price	Discounted Price
250mg	98%	in stock	$19.00	$13.00
1g	98%	in stock	$20.00	$14.00
5g	98%	in stock	$75.00	$52.00
25g	98%	in stock	$345.00	$241.00
100g	98%	in stock	$1,239.00	$868.00

Description

• Catalog Number: AA05971
• Chemical Name: Potassium 1-methyl-4-trifluoroboratomethylpiperazine
• CAS Number: 1015484-22-6
• Molecular Formula: C6H13BF3KN2
• Molecular Weight: 220.0853
• MDL Number: MFCD10700160
• SMILES: F[B-](CN1CCN(CC1)C)(F)F.[K+]

Computed Properties

• Complexity: 147
• Covalently-Bonded Unit Count: 2
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1

Upstream Synthesis Route

To synthesize Potassium 1-methyl-4-trifluoroboratomethylpiperazine, commence with the readily available starting material piperazine. Proceed with the following steps:

1. N-Methylation of Piperazine: Treat piperazine with a methylating agent like methyl iodide (CH3I) under basic conditions to introduce the methyl group onto the nitrogen, yielding 1-methylpiperazine.

2. Generation of 4-Chloromethylpiperazine: Perform a nucleophilic substitution by reacting 1-methylpiperazine with chloromethyl chloride (CH2Cl2) to install the chloromethyl group at the 4-position, forming 4-chloromethyl-1-methylpiperazine.

3. Formation of 4-Trifluoroboratomethylpiperazine: Utilize a boron-trifluoride donor, such as sodium tetrafluoroborate (NaBF4), and replace the chlorine atom on the chloromethyl group with a trifluoroborate group by nucleophilic substitution.

4. Exchange to Potassium Salt: Replace the sodium counterion with potassium by treating the resultant trifluoroboratomethyl compound with a potassium salt, such as potassium carbonate (K2CO3), to yield the final product Potassium 1-methyl-4-trifluoroboratomethylpiperazine.

Ensure purification between each step utilizing appropriate methods like recrystallization or chromatography to obtain the final desired compound with high purity.