1408168-76-2 | Potassium 2-(tetrahydro-2h-pyran-2-yloxy)ethyltrifluoroborate

Packsize	Purity	Availability	Price	Discounted Price
250mg	95%	in stock	$34.00	$24.00
1g	97%	in stock	$131.00	$92.00
5g	97%	in stock	$426.00	$298.00
10g	95%	in stock	$479.00	$336.00

Description

• Catalog Number: AE64976
• Chemical Name: Potassium 2-(tetrahydro-2h-pyran-2-yloxy)ethyltrifluoroborate
• CAS Number: 1408168-76-2
• Molecular Formula: C7H13BF3KO2
• Molecular Weight: 236.0814
• MDL Number: MFCD22684702
• SMILES: F[B-](CCOC1CCCCO1)(F)F.[K+]

Computed Properties

• Complexity: 156
• Covalently-Bonded Unit Count: 2
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Undefined Atom Stereocenter Count: 1

Upstream Synthesis Route

The synthesis of Potassium 2-(tetrahydro-2H-pyran-2-yloxy)ethyltrifluoroborate can be outlined as follows:

1. **Synthesis of 2-Tetrahydropyranyl Alcohol:** Initiate with dihydropyran reacting with an appropriate diol under acid catalysis to form a 2-tetrahydropyranyl ether protecting group. The 2-tetrahydropyran (THP) alcohol is subsequently obtained by deprotecting the ether group under acidic conditions.

2. **Installation of Ethyl Spacer:** The 2-tetrahydropyranyl alcohol undergoes nucleophilic substitution with ethyl bromide (or a suitable leaving group) in the presence of a base such as potassium carbonate (K2CO3) to introduce the ethyl spacer, yielding 2-(tetrahydro-2H-pyran-2-yloxy)ethyl bromide.

3. **Conversion to Trifluoroborate Salt:** The final step entails a metal-halogen exchange reaction in which the bromide is substituted with a trifluoroborate anion. This can be achieved by treating the bromide intermediate with potassium bifluoride (KF·HF) and boron trifluoride (BF3) etherate. The reaction yields Potassium 2-(tetrahydro-2H-pyran-2-yloxy)ethyltrifluoroborate.

Each step should be followed by appropriate purification techniques such as distillation or chromatography and characterization of intermediates and the final product with NMR, IR, and MS to ensure accuracy and purity.