1150655-04-1 | Potassium dimethylaminomethyltrifluoroboronate

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$26.00	$19.00
5g	98%	in stock	$94.00	$66.00

Description

• Catalog Number: AA20342
• Chemical Name: Potassium dimethylaminomethyltrifluoroboronate
• CAS Number: 1150655-04-1
• Molecular Formula: C3H8BF3KN
• Molecular Weight: 165.0068
• MDL Number: MFCD10700163
• SMILES: F[B-](CN(C)C)(F)F.[K+]

Computed Properties

• Complexity: 73.9
• Covalently-Bonded Unit Count: 2
• Heavy Atom Count: 9
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1

Upstream Synthesis Route

The synthesis route for Potassium dimethylaminomethyltrifluoroboronate typically involves the following steps:

1. **Preparation of the Dimethylaminomethyl moiety (DMAM):** This starts with the formation of N,N-dimethylaminomethyl chloride by treating formaldehyde (methanal) with dimethylamine in the presence of hydrochloric acid.

2. **Formation of the Trifluoroborane (BF3) intermediate:** Trifluoroborane can be generated in situ by reacting boron trifluoride etherate with a suitable reducing agent such as sodium borohydride in an ether solvent.

3. **Coupling reaction:** The DMAM chloride prepared in step 1 is then reacted with the BF3 intermediate from step 2 to yield dimethylaminomethyltrifluoroborane.

4. **Neutralization:** The reaction mixture is neutralized with potassium carbonate to form Potassium dimethylaminomethyltrifluoroboronate as the final product.

5. **Purification:** The product is purified, typically by crystallization from an appropriate solvent, such as ethanol or diethyl ether, to obtain the pure Potassium dimethylaminomethyltrifluoroboronate.

Each step needs to be monitored closely with regards to stoichiometry, temperature, and reaction time to ensure the highest yield and purity of the final product. Safety precautions should be strictly adhered to due to the reactivity of the intermediates and the corrosive nature of some reagents used.