888711-54-4 | Potassium (piperidin-1-yl)methyltrifluoroborate

Packsize	Purity	Availability	Price	Discounted Price
250mg	95%	in stock	$19.00	$13.00
5g	95%	in stock	$278.00	$194.00
25g	95%	in stock	$789.00	$553.00

Description

• Catalog Number: AD86759
• Chemical Name: Potassium (piperidin-1-yl)methyltrifluoroborate
• CAS Number: 888711-54-4
• Molecular Formula: C6H11BF3KN
• Molecular Weight: 204.06274960000005
• MDL Number: MFCD10566509
• SMILES: [F-][B+3]([CH-]N1CCCCC1)([F-])[F-].[K+]

Computed Properties

• Complexity: 125
• Covalently-Bonded Unit Count: 2
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1

Upstream Synthesis Route

The upstream synthesis of Potassium (piperidin-1-yl)methyltrifluoroborate (KPFMTB) typically includes the following steps:

1. Synthesis of 1-methylpiperidine: This can be achieved through the reduction of N-methylpiperidone using a suitable reducing agent such as hydrogen in the presence of a catalyst like palladium on carbon (Pd/C).

2. Boronation: The obtained 1-methylpiperidine is subjected to a boronation reaction with a boronating agent such as triisopropyl borate or trimethyl borate to introduce the boron moiety, yielding a piperidinylmethylboronate compound.

3. Trifluoroboration: The piperidinylmethylboronate is further reacted with a fluorinating agent such as boron trifluoride etherate (BF3·OEt2), leading to the formation of the trifluoroborate group.

4. Salt formation: Finally, exchange the piperidinylmethyltrifluoroborate with potassium carbonate or potassium hydroxide to yield Potassium (piperidin-1-yl)methyltrifluoroborate as a stable salt.

Each of these reaction steps must be optimized for yield, purity, and reaction conditions such as temperature, solvent, and time. Subsequent work-up procedures, including purification techniques like recrystallization, column chromatography, or extraction, may be required to obtain the final product in high purity. The process should always include analytical testing at each step to ensure product quality and reaction completion.