395083-14-4 | Potassium isopropenyltrifluoroborate

Packsize	Purity	Availability	Price	Discounted Price
1g	95%	in stock	$11.00	$8.00
5g	95%	in stock	$11.00	$8.00
10g	95%	in stock	$15.00	$11.00
25g	95%	in stock	$27.00	$19.00
100g	95%	in stock	$100.00	$70.00
500g	95%	in stock	$494.00	$346.00

Description

• Catalog Number: AF58987
• Chemical Name: Potassium isopropenyltrifluoroborate
• CAS Number: 395083-14-4
• Molecular Formula: C3H5BF3K
• Molecular Weight: 147.9763
• MDL Number: MFCD11052654
• SMILES: F[B-](C(=C)C)(F)F.[K+]

Computed Properties

• Complexity: 87
• Covalently-Bonded Unit Count: 2
• Heavy Atom Count: 8
• Hydrogen Bond Acceptor Count: 4

Upstream Synthesis Route

The upstream synthesis route for Potassium isopropenyltrifluoroborate commonly involves the preparation of an isopropenylboronic acid or ester intermediary from appropriate olefin precursors followed by a halogen exchange or direct borylation with a suitable boron reagent, and subsequent treatment with potassium fluoride to yield the final potassium trifluoroborate compound.

1. Synthesis of isopropenylboronic acid or its derivatives can be achieved via hydroboration of propyne using a borane complex or diborane, followed by oxidative work-up or hydrolysis to yield the boronic acid or ester.

2. For direct borylation, palladium-catalyzed borylation of propyne with a diboron reagent such as bis(pinacolato)diboron can be employed. This step introduces the boron moiety to the alkyne to form isopropenylboronate ester.

3. The obtained isopropenylboronic acid or ester can then be converted to the corresponding trifluoroborate by treatment with a fluorinating agent such as KHF2 or TBAF (Tetra-n-butylammonium fluoride).

4. If not already in the potassium salt form, an exchange reaction with a potassium-containing compound (e.g., KCl) can be conducted to yield Potassium isopropenyltrifluoroborate.

Fine-tuning of reaction conditions, catalysts, and reagents may be required based on the specific starting materials and desired scale of the synthesis. Each step may involve purification techniques and characterization to ensure the integrity of the intermediate and the final product.