1902198-18-8 | Potassium (E)-1-propenyl-1-trifluoroborate

Packsize	Purity	Availability	Price	Discounted Price
1g	95%	in stock	$137.00	$96.00
5g	95%	in stock	$510.00	$357.00
25g	95%	in stock	$1,777.00	$1,244.00
100g	95%	in stock	$6,665.00	$4,666.00

Description

• Catalog Number: AB11778
• Chemical Name: Potassium (E)-1-propenyl-1-trifluoroborate
• CAS Number: 1902198-18-8
• Molecular Formula: C3H5BF3K
• Molecular Weight: 147.9763
• MDL Number: MFCD09992882
• SMILES: F[B-](C=CC)(F)F.[K+]

Computed Properties

• Complexity: 77.1
• Covalently-Bonded Unit Count: 2
• Defined Bond Stereocenter Count: 1
• Heavy Atom Count: 8
• Hydrogen Bond Acceptor Count: 4

Upstream Synthesis Route

To synthesize Potassium (E)-1-propenyl-1-trifluoroborate (CAS number 898662-04-1), follow these steps:

1. Start with the commercially available 1-bromo-1-propene as the substrate.
2. Subject 1-bromo-1-propene to a palladium-catalyzed cross-coupling reaction with a suitable organoboron reagent, such as bis(pinacolato)diboron, to introduce the boronic ester functionality.
3. Perform an isomerization step if necessary to ensure the E-configuration of the alkene group.
4. Conduct a hydroboration of the resulting boronic ester with hydroxylamine-O-sulfonic acid to convert it to the trifluoroborate.
5. Finally, exchange the counterion by treating with potassium carbonate or potassium hydroxide to obtain the pure Potassium (E)-1-propenyl-1-trifluoroborate.

It's essential to employ the correct stoichiometry, temperature control, and reaction times during each step to ensure high purity and yield of the final compound. Appropriate purification methods such as recrystallization or chromatography may be necessary to achieve the desired product quality.