926280-83-3 | Potassium 2-(Boc-aminoethyl)trifluoroborate

Packsize	Purity	Availability	Price	Discounted Price
100mg	96%	in stock	$20.00	$14.00
1g	97%	in stock	$28.00	$19.00
5g	97%	in stock	$108.00	$75.00
25g	97%	in stock	$450.00	$315.00

Description

• Catalog Number: AH86343
• Chemical Name: Potassium 2-(Boc-aminoethyl)trifluoroborate
• CAS Number: 926280-83-3
• Molecular Formula: C7H14BF3KNO2
• Molecular Weight: 251.0961
• MDL Number: MFCD10698613
• SMILES: F[B-](CCNC(=O)OC(C)(C)C)(F)F.[K+]

Computed Properties

• Complexity: 205
• Covalently-Bonded Unit Count: 2
• Heavy Atom Count: 15
• Hydrogen Bond Acceptor Count: 6
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 4
• Undefined Atom Stereocenter Count: 2

Upstream Synthesis Route

To synthesize Potassium 2-(Boc-aminoethyl)trifluoroborate, one would typically start from the corresponding amine, in this case, Boc-protected ethylenediamine. The following steps outline the upstream synthesis:

1. Boc-Protection: Ethylenediamine is reacted with di-tert-butyl dicarbonate (Boc2O) to introduce the tert-butoxycarbonyl (Boc) protecting group onto the amine, giving Boc-protected ethylenediamine.

2. Boron-complex formation: The Boc-protected ethylenediamine is then treated with an appropriate boron-containing reagent, such as triisopropyl borate, under controlled conditions to ensure the formation of the corresponding boronate complex.

3. Trifluoroborate exchange: The boronate complex is subjected to a halide-trifluoroborate exchange, often mediated by a suitable potassium trifluoroborate salt in the presence of a base, to obtain the desired Potassium 2-(Boc-aminoethyl)trifluoroborate.

4. Purification: The final product is purified by appropriate methods such as crystallization or chromatography.

5. Characterization: The product's purity and structure are confirmed by techniques such as NMR, IR, and mass spectrometry.

Each of these steps must be carefully controlled in terms of temperature, stoichiometry, solvent, and time to maximize the yield and purity of the final compound.