1314538-55-0 | Potassium N-Boc-aminomethyltrifluoroborate

Packsize	Purity	Availability	Price	Discounted Price
250mg	98%	in stock	$6.00	$5.00
1g	98%	in stock	$16.00	$12.00
5g	98%	in stock	$76.00	$54.00
10g	98%	in stock	$122.00	$86.00
25g	98%	in stock	$278.00	$195.00
100g	98%	in stock	$912.00	$639.00

Description

• Catalog Number: AA41544
• Chemical Name: Potassium N-Boc-aminomethyltrifluoroborate
• CAS Number: 1314538-55-0
• Molecular Formula: C6H12BF3KNO2
• Molecular Weight: 237.0695
• MDL Number: MFCD19686142
• SMILES: F[B-](CNC(=O)OC(C)(C)C)(F)F.[K+]

Computed Properties

• Complexity: 193
• Covalently-Bonded Unit Count: 2
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 6
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 3

Upstream Synthesis Route

The upstream synthesis of Potassium N-Boc-aminomethyltrifluoroborate (KBocAMTF) typically involves the following steps:

1. Protection of the Amino Group: The amino group is protected by reacting the primary amine with di-tert-butyl dicarbonate (Boc2O) in the presence of a base such as triethylamine (Et3N) to form the corresponding N-Boc-protected amine.

2. Formation of the Dibromomethyl Intermediate: A dibromomethyl compound is synthesized by reacting the N-Boc-protected amine with CBr4 and triphenylphosphine (PPh3) in a solvent such as dichloromethane (DCM). This forms the dibromomethyl derivative of the N-Boc-protected amine.

3. Dibromide to Trifluoroborate Conversion: The dibromomethyl intermediate is then converted to the aminomethyltrifluoroborate by nucleophilic substitution with an appropriate boron reagent, often potassium (trifluoroborate) KHF2 under aqueous conditions.

4. Isolation and Purification: The resulting Potassium N-Boc-aminomethyltrifluoroborate is isolated by precipitation or extraction and purified by methods such as recrystallization or chromatography to achieve the desired purity for further applications.

Each of these steps requires careful monitoring of reaction conditions, including temperature, time, and stoichiometry, to ensure high yield and purity of the final product. Safety precautions should also be taken due to the potentially hazardous nature of some reagents used in the synthesis, such as CBr4 and Boc2O.