1430219-73-0 | Potassium (1-(tert-butoxycarbonyl)azetidin-3-yl)trifluoroborate

Packsize	Purity	Availability	Price	Discounted Price
100mg	97%	in stock	$55.00	$39.00
250mg	97%	in stock	$70.00	$49.00
1g	97%	in stock	$198.00	$139.00
5g	97%	in stock	$924.00	$647.00
10g	97%	in stock	$1,543.00	$1,081.00

Description

• Catalog Number: AB53560
• Chemical Name: Potassium (1-(tert-butoxycarbonyl)azetidin-3-yl)trifluoroborate
• CAS Number: 1430219-73-0
• Molecular Formula: C8H14BF3KNO2
• Molecular Weight: 263.1068
• MDL Number: MFCD18712148
• SMILES: F[B-](C1CN(C1)C(=O)OC(C)(C)C)(F)F.[K+]

Computed Properties

• Complexity: 261
• Covalently-Bonded Unit Count: 2
• Heavy Atom Count: 16
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2

Upstream Synthesis Route

To synthesize Potassium (1-(tert-butoxycarbonyl)azetidin-3-yl)trifluoroborate (CAS: 1153949-11-1), one could proceed with the following upstream steps:

1. **Synthesis of Azetidine-3-carboxylic acid**: Begin with the cyclization of an appropriate beta-lactam, such as beta-amino acid under acidic conditions to obtain the azetidine core structure.

2. **Protection of the carboxylic acid**: Conduct a Boc-protection of the azetidine-3-carboxylic acid using di-tert-butyl dicarbonate (Boc₂O) and a base such as triethylamine (Et₃N) in an anhydrous solvent like dichloromethane (DCM) to obtain the tert-butoxycarbonyl-protected azetidine.

3. **Conversion to azetidine-3-boronic acid**: Introduce the boronic acid moiety through a reaction with a suitable boronic acid reagent, potentially via a lithium-halogen exchange reaction followed by treatment with triisopropyl borate and subsequent acid-mediated hydrolysis.

4. **Conversion to boronate ester**: React the azetidine-3-boronic acid with a fluorinating agent like trifluoroborane (BF₃) to give the trifluoroborate ester.

5. **Potassium Salt Formation**: Finally, neutralize the resulting azetidine trifluoroborate with an aqueous solution of potassium carbonate (K₂CO₃) to precipitate the potassium salt, which can be isolated by filtration.

Each reaction stage must be carefully controlled, with thorough purification of intermediates to ensure high purity of the final compound. Analytical methods such as NMR, HPLC, and MS should be used throughout the process to validate the structure and purity of the intermediates and final product.